USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= 0 X(o=2.1,f=2.1) USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= 1.18 F(o=0.65,f=2.1) USER MOD Set 1.3: A 57 HIS : no HD1:sc= 0.967 K(o=2.1,f=-2.3) USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -2.8! C(o=-4.4!,f=-3.2!) USER MOD Set 2.2: A 58 SER OG : rot 5:sc= 0.207 USER MOD Set 2.3: A 59 SER OG : rot 86:sc= 0.599 USER MOD Set 2.4: A 73 CYS SG : rot 118:sc= -1.22 USER MOD Set 3.1: A 39 THR OG1 : rot -82:sc= 0.665 USER MOD Set 3.2: A 40 CYS SG : rot -156:sc= -1.79! USER MOD Set 4.1: A 14 ASN : amide:sc= 1.15 K(o=3.3,f=0.48) USER MOD Set 4.2: A 18 THR OG1 : rot -85:sc= 2.2 USER MOD Set 5.1: A 7 SER OG : rot 5:sc= 1.24 USER MOD Set 5.2: A 23 CYS SG : rot -22:sc= -2.16! USER MOD Single : A 2 SER OG : rot -23:sc= 0.57 USER MOD Single : A 3 TYR OH : rot 25:sc= -0.153 USER MOD Single : A 6 SER OG : rot 54:sc= 0.431 USER MOD Single : A 9 ASN : amide:sc= 1.03 K(o=1,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 175:sc= -0.723 USER MOD Single : A 25 ASN : amide:sc= -0.0423 K(o=-0.042,f=-8.9!) USER MOD Single : A 29 ASN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 156:sc= 1.21 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -99:sc= -0.507! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 37:sc= 0.15 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.664) USER MOD Single : A 77 THR OG1 : rot -126:sc= 0.376 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.587 F(o=-2.3,f=-0.59) USER MOD Single : A 91 ASN :FLIP amide:sc=-0.00755 F(o=-0.61!,f=-0.0075) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 95 ASN : amide:sc= -3.62! C(o=-3.6!,f=-9!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.986 11.761 -0.899 1.00 0.00 N ATOM 17 CA SER A 2 2.497 10.588 -0.218 1.00 0.00 C ATOM 18 C SER A 2 4.012 10.482 -0.346 1.00 0.00 C ATOM 19 O SER A 2 4.642 11.325 -0.984 1.00 0.00 O ATOM 20 CB SER A 2 1.820 9.331 -0.755 1.00 0.00 C ATOM 21 OG SER A 2 1.437 9.503 -2.110 1.00 0.00 O ATOM 0 HA SER A 2 2.266 10.687 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.499 8.483 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.943 9.099 -0.151 1.00 0.00 H new ATOM 0 HG SER A 2 1.343 10.459 -2.305 1.00 0.00 H new ATOM 26 N TYR A 3 4.579 9.457 0.273 1.00 0.00 N ATOM 27 CA TYR A 3 6.023 9.220 0.260 1.00 0.00 C ATOM 28 C TYR A 3 6.618 9.298 -1.147 1.00 0.00 C ATOM 29 O TYR A 3 7.719 9.819 -1.331 1.00 0.00 O ATOM 30 CB TYR A 3 6.327 7.848 0.872 1.00 0.00 C ATOM 31 CG TYR A 3 5.762 6.677 0.089 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.395 6.430 0.049 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.601 5.829 -0.627 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.881 5.372 -0.674 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.093 4.769 -1.353 1.00 0.00 C ATOM 36 CZ TYR A 3 4.733 4.548 -1.375 1.00 0.00 C ATOM 37 OH TYR A 3 4.223 3.494 -2.094 1.00 0.00 O ATOM 0 H TYR A 3 4.052 8.761 0.801 1.00 0.00 H new ATOM 0 HA TYR A 3 6.485 10.010 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.408 7.730 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.928 7.819 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.723 7.077 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.667 6.002 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.816 5.192 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.758 4.117 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 3 3.293 3.683 -2.337 1.00 0.00 H new ATOM 46 N ALA A 4 5.862 8.818 -2.134 1.00 0.00 N ATOM 47 CA ALA A 4 6.307 8.788 -3.527 1.00 0.00 C ATOM 48 C ALA A 4 6.744 10.159 -4.045 1.00 0.00 C ATOM 49 O ALA A 4 7.456 10.239 -5.044 1.00 0.00 O ATOM 50 CB ALA A 4 5.218 8.206 -4.410 1.00 0.00 C ATOM 0 H ALA A 4 4.926 8.440 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 4 7.189 8.149 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.560 8.188 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.990 7.191 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.321 8.821 -4.334 1.00 0.00 H new ATOM 56 N ASP A 5 6.320 11.233 -3.377 1.00 0.00 N ATOM 57 CA ASP A 5 6.709 12.586 -3.782 1.00 0.00 C ATOM 58 C ASP A 5 8.227 12.721 -3.782 1.00 0.00 C ATOM 59 O ASP A 5 8.811 13.356 -4.659 1.00 0.00 O ATOM 60 CB ASP A 5 6.104 13.637 -2.845 1.00 0.00 C ATOM 61 CG ASP A 5 6.719 15.010 -3.049 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.321 15.714 -4.003 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.617 15.386 -2.262 1.00 0.00 O ATOM 0 H ASP A 5 5.712 11.194 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 5 6.328 12.755 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.028 13.694 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.250 13.326 -1.811 1.00 0.00 H new ATOM 67 N SER A 6 8.854 12.112 -2.788 1.00 0.00 N ATOM 68 CA SER A 6 10.298 12.135 -2.658 1.00 0.00 C ATOM 69 C SER A 6 10.813 10.715 -2.462 1.00 0.00 C ATOM 70 O SER A 6 11.717 10.465 -1.664 1.00 0.00 O ATOM 71 CB SER A 6 10.707 13.012 -1.475 1.00 0.00 C ATOM 72 OG SER A 6 10.166 14.321 -1.588 1.00 0.00 O ATOM 0 H SER A 6 8.377 11.591 -2.053 1.00 0.00 H new ATOM 0 HA SER A 6 10.734 12.553 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.366 12.555 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.794 13.069 -1.422 1.00 0.00 H new ATOM 0 HG SER A 6 9.195 14.264 -1.709 1.00 0.00 H new ATOM 77 N SER A 7 10.213 9.783 -3.186 1.00 0.00 N ATOM 78 CA SER A 7 10.592 8.389 -3.097 1.00 0.00 C ATOM 79 C SER A 7 10.552 7.753 -4.479 1.00 0.00 C ATOM 80 O SER A 7 9.769 8.161 -5.340 1.00 0.00 O ATOM 81 CB SER A 7 9.660 7.646 -2.135 1.00 0.00 C ATOM 82 OG SER A 7 10.183 6.379 -1.783 1.00 0.00 O ATOM 0 H SER A 7 9.457 9.973 -3.844 1.00 0.00 H new ATOM 0 HA SER A 7 11.609 8.321 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.513 8.243 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.681 7.521 -2.598 1.00 0.00 H new ATOM 0 HG SER A 7 11.076 6.274 -2.172 1.00 0.00 H new ATOM 87 N ARG A 8 11.406 6.766 -4.686 1.00 0.00 N ATOM 88 CA ARG A 8 11.483 6.074 -5.961 1.00 0.00 C ATOM 89 C ARG A 8 11.634 4.574 -5.749 1.00 0.00 C ATOM 90 O ARG A 8 12.054 4.136 -4.675 1.00 0.00 O ATOM 91 CB ARG A 8 12.662 6.596 -6.786 1.00 0.00 C ATOM 92 CG ARG A 8 14.003 6.506 -6.069 1.00 0.00 C ATOM 93 CD ARG A 8 15.162 6.772 -7.016 1.00 0.00 C ATOM 94 NE ARG A 8 15.299 5.715 -8.016 1.00 0.00 N ATOM 95 CZ ARG A 8 15.119 5.899 -9.324 1.00 0.00 C ATOM 96 NH1 ARG A 8 14.849 7.108 -9.796 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.231 4.878 -10.163 1.00 0.00 N ATOM 0 H ARG A 8 12.060 6.424 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 8 10.557 6.264 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.720 6.032 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.473 7.635 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.028 7.226 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.114 5.516 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.010 7.728 -7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.087 6.854 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 8 15.547 4.780 -7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.778 7.901 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.712 7.246 -10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.455 3.948 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.093 5.022 -11.163 1.00 0.00 H new ATOM 108 N ASN A 9 11.276 3.804 -6.778 1.00 0.00 N ATOM 109 CA ASN A 9 11.380 2.345 -6.742 1.00 0.00 C ATOM 110 C ASN A 9 10.490 1.752 -5.659 1.00 0.00 C ATOM 111 O ASN A 9 10.947 0.974 -4.820 1.00 0.00 O ATOM 112 CB ASN A 9 12.836 1.911 -6.534 1.00 0.00 C ATOM 113 CG ASN A 9 13.675 2.060 -7.788 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.184 1.883 -8.904 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.940 2.414 -7.617 1.00 0.00 N ATOM 0 H ASN A 9 10.908 4.172 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 9 11.036 1.965 -7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.277 2.505 -5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.858 0.871 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.545 2.550 -8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.309 2.551 -6.676 1.00 0.00 H new ATOM 121 N ALA A 10 9.215 2.121 -5.686 1.00 0.00 N ATOM 122 CA ALA A 10 8.258 1.621 -4.711 1.00 0.00 C ATOM 123 C ALA A 10 7.753 0.245 -5.126 1.00 0.00 C ATOM 124 O ALA A 10 7.132 0.088 -6.181 1.00 0.00 O ATOM 125 CB ALA A 10 7.100 2.595 -4.559 1.00 0.00 C ATOM 0 H ALA A 10 8.822 2.764 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 10 8.756 1.528 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.392 2.207 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.478 3.560 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.598 2.716 -5.519 1.00 0.00 H new ATOM 131 N VAL A 11 8.026 -0.749 -4.298 1.00 0.00 N ATOM 132 CA VAL A 11 7.612 -2.116 -4.577 1.00 0.00 C ATOM 133 C VAL A 11 6.778 -2.679 -3.434 1.00 0.00 C ATOM 134 O VAL A 11 6.704 -2.089 -2.353 1.00 0.00 O ATOM 135 CB VAL A 11 8.831 -3.037 -4.821 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.613 -2.580 -6.045 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.733 -3.082 -3.596 1.00 0.00 C ATOM 0 H VAL A 11 8.536 -0.635 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 11 7.006 -2.086 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 11 8.460 -4.045 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.466 -3.241 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.967 -2.611 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.967 -1.561 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.582 -3.736 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.093 -2.078 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.171 -3.464 -2.744 1.00 0.00 H new ATOM 147 N LEU A 12 6.163 -3.830 -3.675 1.00 0.00 N ATOM 148 CA LEU A 12 5.329 -4.478 -2.673 1.00 0.00 C ATOM 149 C LEU A 12 6.062 -5.668 -2.078 1.00 0.00 C ATOM 150 O LEU A 12 6.438 -6.595 -2.797 1.00 0.00 O ATOM 151 CB LEU A 12 4.000 -4.964 -3.276 1.00 0.00 C ATOM 152 CG LEU A 12 3.011 -3.879 -3.718 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.821 -2.852 -2.615 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.463 -3.221 -5.015 1.00 0.00 C ATOM 0 H LEU A 12 6.227 -4.335 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 12 5.114 -3.742 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.226 -5.591 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.504 -5.599 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 12 2.048 -4.351 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.116 -2.089 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.432 -3.344 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.778 -2.385 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.743 -2.456 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.441 -2.762 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.529 -3.973 -5.801 1.00 0.00 H new ATOM 165 N THR A 13 6.270 -5.639 -0.776 1.00 0.00 N ATOM 166 CA THR A 13 6.961 -6.719 -0.103 1.00 0.00 C ATOM 167 C THR A 13 6.034 -7.453 0.863 1.00 0.00 C ATOM 168 O THR A 13 4.918 -6.993 1.147 1.00 0.00 O ATOM 169 CB THR A 13 8.202 -6.198 0.646 1.00 0.00 C ATOM 170 OG1 THR A 13 7.854 -5.064 1.453 1.00 0.00 O ATOM 171 CG2 THR A 13 9.296 -5.811 -0.338 1.00 0.00 C ATOM 0 H THR A 13 5.970 -4.880 -0.164 1.00 0.00 H new ATOM 0 HA THR A 13 7.287 -7.424 -0.868 1.00 0.00 H new ATOM 0 HB THR A 13 8.573 -6.995 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.632 -4.788 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.165 -5.445 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.579 -6.682 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.929 -5.028 -1.001 1.00 0.00 H new ATOM 179 N ASN A 14 6.492 -8.615 1.325 1.00 0.00 N ATOM 180 CA ASN A 14 5.742 -9.443 2.268 1.00 0.00 C ATOM 181 C ASN A 14 4.440 -9.947 1.653 1.00 0.00 C ATOM 182 O ASN A 14 3.442 -10.131 2.349 1.00 0.00 O ATOM 183 CB ASN A 14 5.465 -8.677 3.568 1.00 0.00 C ATOM 184 CG ASN A 14 6.699 -8.550 4.443 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.547 -9.439 4.470 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.818 -7.443 5.154 1.00 0.00 N ATOM 0 H ASN A 14 7.394 -9.009 1.056 1.00 0.00 H new ATOM 0 HA ASN A 14 6.357 -10.311 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.091 -7.682 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.679 -9.187 4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.634 -7.305 5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.094 -6.726 5.107 1.00 0.00 H new ATOM 192 N GLY A 15 4.453 -10.159 0.342 1.00 0.00 N ATOM 193 CA GLY A 15 3.273 -10.654 -0.344 1.00 0.00 C ATOM 194 C GLY A 15 2.394 -9.546 -0.891 1.00 0.00 C ATOM 195 O GLY A 15 1.606 -9.771 -1.809 1.00 0.00 O ATOM 0 H GLY A 15 5.261 -9.997 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.582 -11.303 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.690 -11.266 0.344 1.00 0.00 H new ATOM 199 N GLY A 16 2.528 -8.355 -0.330 1.00 0.00 N ATOM 200 CA GLY A 16 1.730 -7.233 -0.775 1.00 0.00 C ATOM 201 C GLY A 16 1.056 -6.541 0.386 1.00 0.00 C ATOM 202 O GLY A 16 -0.168 -6.425 0.435 1.00 0.00 O ATOM 0 H GLY A 16 3.177 -8.145 0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.363 -6.522 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.976 -7.579 -1.482 1.00 0.00 H new ATOM 206 N ARG A 17 1.857 -6.114 1.344 1.00 0.00 N ATOM 207 CA ARG A 17 1.345 -5.431 2.521 1.00 0.00 C ATOM 208 C ARG A 17 2.289 -4.324 2.965 1.00 0.00 C ATOM 209 O ARG A 17 1.858 -3.295 3.491 1.00 0.00 O ATOM 210 CB ARG A 17 1.136 -6.429 3.660 1.00 0.00 C ATOM 211 CG ARG A 17 2.314 -7.359 3.874 1.00 0.00 C ATOM 212 CD ARG A 17 2.124 -8.241 5.094 1.00 0.00 C ATOM 213 NE ARG A 17 2.348 -7.513 6.337 1.00 0.00 N ATOM 214 CZ ARG A 17 3.127 -7.951 7.322 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.737 -9.125 7.225 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.287 -7.216 8.409 1.00 0.00 N ATOM 0 H ARG A 17 2.871 -6.228 1.331 1.00 0.00 H new ATOM 0 HA ARG A 17 0.388 -4.979 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.944 -5.881 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.247 -7.024 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.448 -7.984 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.225 -6.771 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.114 -8.650 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.810 -9.086 5.040 1.00 0.00 H new ATOM 0 HE ARG A 17 1.880 -6.615 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.610 -9.698 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.333 -9.454 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.814 -6.316 8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.884 -7.549 9.166 1.00 0.00 H new ATOM 227 N THR A 18 3.575 -4.539 2.747 1.00 0.00 N ATOM 228 CA THR A 18 4.585 -3.578 3.126 1.00 0.00 C ATOM 229 C THR A 18 5.086 -2.806 1.911 1.00 0.00 C ATOM 230 O THR A 18 5.327 -3.385 0.847 1.00 0.00 O ATOM 231 CB THR A 18 5.763 -4.302 3.792 1.00 0.00 C ATOM 232 OG1 THR A 18 5.259 -5.346 4.637 1.00 0.00 O ATOM 233 CG2 THR A 18 6.602 -3.336 4.613 1.00 0.00 C ATOM 0 H THR A 18 3.943 -5.381 2.304 1.00 0.00 H new ATOM 0 HA THR A 18 4.140 -2.872 3.827 1.00 0.00 H new ATOM 0 HB THR A 18 6.398 -4.727 3.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.032 -4.975 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.430 -3.874 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.995 -2.553 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.984 -2.887 5.390 1.00 0.00 H new ATOM 241 N LEU A 19 5.207 -1.498 2.068 1.00 0.00 N ATOM 242 CA LEU A 19 5.696 -0.639 1.003 1.00 0.00 C ATOM 243 C LEU A 19 7.188 -0.425 1.150 1.00 0.00 C ATOM 244 O LEU A 19 7.636 0.190 2.118 1.00 0.00 O ATOM 245 CB LEU A 19 4.998 0.723 1.033 1.00 0.00 C ATOM 246 CG LEU A 19 3.528 0.730 0.623 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.977 2.144 0.698 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.365 0.160 -0.777 1.00 0.00 C ATOM 0 H LEU A 19 4.971 -1.005 2.930 1.00 0.00 H new ATOM 0 HA LEU A 19 5.481 -1.130 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.075 1.126 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.541 1.402 0.376 1.00 0.00 H new ATOM 0 HG LEU A 19 2.964 0.100 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.927 2.142 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.067 2.516 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.541 2.790 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.311 0.172 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.933 0.764 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.734 -0.865 -0.798 1.00 0.00 H new ATOM 259 N ARG A 20 7.958 -0.945 0.212 1.00 0.00 N ATOM 260 CA ARG A 20 9.398 -0.771 0.250 1.00 0.00 C ATOM 261 C ARG A 20 9.826 0.167 -0.869 1.00 0.00 C ATOM 262 O ARG A 20 9.586 -0.113 -2.043 1.00 0.00 O ATOM 263 CB ARG A 20 10.106 -2.117 0.103 1.00 0.00 C ATOM 264 CG ARG A 20 11.624 -2.007 0.136 1.00 0.00 C ATOM 265 CD ARG A 20 12.290 -3.364 -0.033 1.00 0.00 C ATOM 266 NE ARG A 20 11.985 -4.267 1.075 1.00 0.00 N ATOM 267 CZ ARG A 20 12.463 -5.505 1.191 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.247 -6.013 0.247 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.142 -6.233 2.254 1.00 0.00 N ATOM 0 H ARG A 20 7.614 -1.488 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 20 9.676 -0.340 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.779 -2.781 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.803 -2.578 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.958 -1.337 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.936 -1.564 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.961 -3.815 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.369 -3.231 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 20 11.364 -3.926 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.486 -5.455 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.610 -6.962 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.534 -5.843 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.504 -7.182 2.350 1.00 0.00 H new ATOM 280 N ALA A 21 10.451 1.276 -0.508 1.00 0.00 N ATOM 281 CA ALA A 21 10.899 2.241 -1.496 1.00 0.00 C ATOM 282 C ALA A 21 12.089 3.035 -0.983 1.00 0.00 C ATOM 283 O ALA A 21 12.407 3.000 0.210 1.00 0.00 O ATOM 284 CB ALA A 21 9.758 3.181 -1.862 1.00 0.00 C ATOM 0 H ALA A 21 10.659 1.529 0.458 1.00 0.00 H new ATOM 0 HA ALA A 21 11.214 1.697 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.104 3.901 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.930 2.605 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.423 3.711 -0.970 1.00 0.00 H new ATOM 290 N GLU A 22 12.746 3.740 -1.893 1.00 0.00 N ATOM 291 CA GLU A 22 13.882 4.575 -1.545 1.00 0.00 C ATOM 292 C GLU A 22 13.356 5.960 -1.236 1.00 0.00 C ATOM 293 O GLU A 22 12.840 6.634 -2.125 1.00 0.00 O ATOM 294 CB GLU A 22 14.886 4.645 -2.704 1.00 0.00 C ATOM 295 CG GLU A 22 15.282 3.278 -3.235 1.00 0.00 C ATOM 296 CD GLU A 22 16.315 3.352 -4.337 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.960 3.718 -5.474 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.491 3.029 -4.073 1.00 0.00 O ATOM 0 H GLU A 22 12.508 3.748 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 22 14.401 4.155 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.455 5.232 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.780 5.171 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.674 2.675 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.394 2.768 -3.609 1.00 0.00 H new ATOM 303 N CYS A 23 13.443 6.371 0.015 1.00 0.00 N ATOM 304 CA CYS A 23 12.942 7.675 0.412 1.00 0.00 C ATOM 305 C CYS A 23 14.079 8.670 0.551 1.00 0.00 C ATOM 306 O CYS A 23 15.090 8.383 1.185 1.00 0.00 O ATOM 307 CB CYS A 23 12.174 7.560 1.726 1.00 0.00 C ATOM 308 SG CYS A 23 10.793 6.397 1.659 1.00 0.00 S ATOM 0 H CYS A 23 13.854 5.824 0.772 1.00 0.00 H new ATOM 0 HA CYS A 23 12.267 8.037 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.862 7.249 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.796 8.544 2.003 1.00 0.00 H new ATOM 0 HG CYS A 23 10.421 6.235 0.424 1.00 0.00 H new ATOM 313 N ARG A 24 13.922 9.828 -0.063 1.00 0.00 N ATOM 314 CA ARG A 24 14.934 10.857 0.005 1.00 0.00 C ATOM 315 C ARG A 24 14.765 11.665 1.279 1.00 0.00 C ATOM 316 O ARG A 24 13.793 12.405 1.432 1.00 0.00 O ATOM 317 CB ARG A 24 14.833 11.752 -1.225 1.00 0.00 C ATOM 318 CG ARG A 24 15.827 12.893 -1.242 1.00 0.00 C ATOM 319 CD ARG A 24 15.782 13.612 -2.572 1.00 0.00 C ATOM 320 NE ARG A 24 15.732 15.062 -2.406 1.00 0.00 N ATOM 321 CZ ARG A 24 16.390 15.928 -3.174 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.166 15.498 -4.163 1.00 0.00 N ATOM 323 NH2 ARG A 24 16.262 17.229 -2.953 1.00 0.00 N ATOM 0 H ARG A 24 13.101 10.077 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 24 15.923 10.398 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.980 11.143 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.825 12.162 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.602 13.592 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.832 12.511 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.660 13.344 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.909 13.281 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 24 15.155 15.436 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.261 14.498 -4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.667 16.168 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.662 17.561 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.764 17.897 -3.538 1.00 0.00 H new ATOM 334 N ASN A 25 15.699 11.498 2.203 1.00 0.00 N ATOM 335 CA ASN A 25 15.646 12.215 3.465 1.00 0.00 C ATOM 336 C ASN A 25 16.112 13.651 3.277 1.00 0.00 C ATOM 337 O ASN A 25 16.692 13.973 2.233 1.00 0.00 O ATOM 338 CB ASN A 25 16.477 11.518 4.557 1.00 0.00 C ATOM 339 CG ASN A 25 17.949 11.348 4.209 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.530 12.133 3.463 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.562 10.316 4.763 1.00 0.00 N ATOM 0 H ASN A 25 16.500 10.874 2.102 1.00 0.00 H new ATOM 0 HA ASN A 25 14.608 12.218 3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.398 12.092 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.046 10.536 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.551 10.150 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.046 9.686 5.377 1.00 0.00 H new ATOM 347 N ALA A 26 15.881 14.491 4.281 1.00 0.00 N ATOM 348 CA ALA A 26 16.258 15.904 4.230 1.00 0.00 C ATOM 349 C ALA A 26 17.718 16.102 3.821 1.00 0.00 C ATOM 350 O ALA A 26 18.056 17.068 3.135 1.00 0.00 O ATOM 351 CB ALA A 26 16.004 16.553 5.580 1.00 0.00 C ATOM 0 H ALA A 26 15.428 14.215 5.152 1.00 0.00 H new ATOM 0 HA ALA A 26 15.642 16.380 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.286 17.605 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.946 16.471 5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.597 16.049 6.343 1.00 0.00 H new ATOM 357 N ASP A 27 18.575 15.168 4.213 1.00 0.00 N ATOM 358 CA ASP A 27 19.998 15.257 3.898 1.00 0.00 C ATOM 359 C ASP A 27 20.232 15.107 2.397 1.00 0.00 C ATOM 360 O ASP A 27 21.290 15.465 1.877 1.00 0.00 O ATOM 361 CB ASP A 27 20.776 14.183 4.665 1.00 0.00 C ATOM 362 CG ASP A 27 22.273 14.292 4.465 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.888 15.216 5.040 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.844 13.447 3.740 1.00 0.00 O ATOM 0 H ASP A 27 18.312 14.341 4.749 1.00 0.00 H new ATOM 0 HA ASP A 27 20.356 16.240 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.549 14.265 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.441 13.197 4.342 1.00 0.00 H new ATOM 368 N GLY A 28 19.224 14.604 1.705 1.00 0.00 N ATOM 369 CA GLY A 28 19.320 14.409 0.275 1.00 0.00 C ATOM 370 C GLY A 28 19.829 13.032 -0.066 1.00 0.00 C ATOM 371 O GLY A 28 20.415 12.821 -1.127 1.00 0.00 O ATOM 0 H GLY A 28 18.332 14.325 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.340 14.558 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.986 15.159 -0.151 1.00 0.00 H new ATOM 375 N ASN A 29 19.611 12.091 0.841 1.00 0.00 N ATOM 376 CA ASN A 29 20.065 10.725 0.639 1.00 0.00 C ATOM 377 C ASN A 29 18.888 9.768 0.530 1.00 0.00 C ATOM 378 O ASN A 29 17.821 10.018 1.095 1.00 0.00 O ATOM 379 CB ASN A 29 20.984 10.298 1.786 1.00 0.00 C ATOM 380 CG ASN A 29 22.448 10.294 1.392 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.946 9.334 0.806 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.155 11.347 1.746 1.00 0.00 N ATOM 0 H ASN A 29 19.123 12.249 1.723 1.00 0.00 H new ATOM 0 HA ASN A 29 20.622 10.689 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.841 10.972 2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.700 9.301 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.152 11.386 1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.705 12.124 2.231 1.00 0.00 H new ATOM 388 N TRP A 30 19.084 8.675 -0.196 1.00 0.00 N ATOM 389 CA TRP A 30 18.036 7.684 -0.380 1.00 0.00 C ATOM 390 C TRP A 30 18.124 6.599 0.679 1.00 0.00 C ATOM 391 O TRP A 30 19.097 5.844 0.738 1.00 0.00 O ATOM 392 CB TRP A 30 18.121 7.042 -1.762 1.00 0.00 C ATOM 393 CG TRP A 30 17.843 7.984 -2.890 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.748 8.507 -3.764 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.567 8.517 -3.266 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.111 9.320 -4.667 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.775 9.347 -4.380 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.272 8.370 -2.773 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.736 10.027 -5.005 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.241 9.047 -3.395 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.477 9.864 -4.502 1.00 0.00 C ATOM 0 H TRP A 30 19.961 8.454 -0.667 1.00 0.00 H new ATOM 0 HA TRP A 30 17.082 8.203 -0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.117 6.618 -1.894 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.413 6.214 -1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.810 8.311 -3.748 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.562 9.824 -5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.078 7.738 -1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.918 10.662 -5.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.234 8.942 -3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.649 10.376 -4.969 1.00 0.00 H new ATOM 411 N VAL A 31 17.109 6.530 1.515 1.00 0.00 N ATOM 412 CA VAL A 31 17.049 5.532 2.564 1.00 0.00 C ATOM 413 C VAL A 31 15.912 4.551 2.305 1.00 0.00 C ATOM 414 O VAL A 31 14.796 4.952 1.972 1.00 0.00 O ATOM 415 CB VAL A 31 16.886 6.166 3.962 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.199 6.776 4.431 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.788 7.220 3.968 1.00 0.00 C ATOM 0 H VAL A 31 16.307 7.159 1.488 1.00 0.00 H new ATOM 0 HA VAL A 31 17.999 4.998 2.550 1.00 0.00 H new ATOM 0 HB VAL A 31 16.599 5.372 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.063 7.218 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.963 6.000 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.513 7.548 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.699 7.647 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.036 8.008 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.841 6.761 3.684 1.00 0.00 H new ATOM 427 N THR A 32 16.208 3.268 2.427 1.00 0.00 N ATOM 428 CA THR A 32 15.209 2.237 2.211 1.00 0.00 C ATOM 429 C THR A 32 14.318 2.088 3.442 1.00 0.00 C ATOM 430 O THR A 32 14.763 1.629 4.498 1.00 0.00 O ATOM 431 CB THR A 32 15.876 0.889 1.869 1.00 0.00 C ATOM 432 OG1 THR A 32 16.745 1.051 0.740 1.00 0.00 O ATOM 433 CG2 THR A 32 14.833 -0.172 1.552 1.00 0.00 C ATOM 0 H THR A 32 17.133 2.916 2.675 1.00 0.00 H new ATOM 0 HA THR A 32 14.590 2.538 1.366 1.00 0.00 H new ATOM 0 HB THR A 32 16.450 0.564 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.168 0.193 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.331 -1.112 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.184 -0.313 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.236 0.148 0.698 1.00 0.00 H new ATOM 441 N SER A 33 13.069 2.501 3.302 1.00 0.00 N ATOM 442 CA SER A 33 12.108 2.428 4.388 1.00 0.00 C ATOM 443 C SER A 33 10.908 1.575 3.993 1.00 0.00 C ATOM 444 O SER A 33 10.538 1.517 2.817 1.00 0.00 O ATOM 445 CB SER A 33 11.650 3.835 4.775 1.00 0.00 C ATOM 446 OG SER A 33 12.718 4.590 5.331 1.00 0.00 O ATOM 0 H SER A 33 12.695 2.894 2.438 1.00 0.00 H new ATOM 0 HA SER A 33 12.591 1.961 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.259 4.347 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.834 3.769 5.495 1.00 0.00 H new ATOM 0 HG SER A 33 12.540 5.546 5.210 1.00 0.00 H new ATOM 451 N GLU A 34 10.315 0.908 4.977 1.00 0.00 N ATOM 452 CA GLU A 34 9.159 0.054 4.746 1.00 0.00 C ATOM 453 C GLU A 34 8.048 0.364 5.743 1.00 0.00 C ATOM 454 O GLU A 34 8.303 0.586 6.930 1.00 0.00 O ATOM 455 CB GLU A 34 9.544 -1.424 4.849 1.00 0.00 C ATOM 456 CG GLU A 34 10.491 -1.890 3.757 1.00 0.00 C ATOM 457 CD GLU A 34 10.763 -3.379 3.816 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.692 -3.789 4.537 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.062 -4.149 3.119 1.00 0.00 O ATOM 0 H GLU A 34 10.620 0.944 5.950 1.00 0.00 H new ATOM 0 HA GLU A 34 8.796 0.255 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.008 -1.602 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.638 -2.029 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.068 -1.640 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.433 -1.349 3.843 1.00 0.00 H new ATOM 464 N LEU A 35 6.816 0.389 5.255 1.00 0.00 N ATOM 465 CA LEU A 35 5.655 0.652 6.100 1.00 0.00 C ATOM 466 C LEU A 35 4.583 -0.389 5.805 1.00 0.00 C ATOM 467 O LEU A 35 4.255 -0.638 4.642 1.00 0.00 O ATOM 468 CB LEU A 35 5.117 2.074 5.854 1.00 0.00 C ATOM 469 CG LEU A 35 4.232 2.679 6.963 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.846 2.058 6.968 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.886 2.508 8.325 1.00 0.00 C ATOM 0 H LEU A 35 6.592 0.230 4.273 1.00 0.00 H new ATOM 0 HA LEU A 35 5.945 0.585 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.967 2.738 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.544 2.066 4.927 1.00 0.00 H new ATOM 0 HG LEU A 35 4.126 3.743 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.249 2.507 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.364 2.236 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.929 0.985 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.246 2.941 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.030 1.447 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.852 3.013 8.331 1.00 0.00 H new ATOM 482 N ASP A 36 4.057 -1.002 6.852 1.00 0.00 N ATOM 483 CA ASP A 36 3.024 -2.022 6.701 1.00 0.00 C ATOM 484 C ASP A 36 1.646 -1.382 6.702 1.00 0.00 C ATOM 485 O ASP A 36 1.165 -0.911 7.737 1.00 0.00 O ATOM 486 CB ASP A 36 3.103 -3.053 7.831 1.00 0.00 C ATOM 487 CG ASP A 36 4.404 -3.826 7.836 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.555 -4.753 7.018 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.284 -3.514 8.673 1.00 0.00 O ATOM 0 H ASP A 36 4.326 -0.813 7.818 1.00 0.00 H new ATOM 0 HA ASP A 36 3.191 -2.527 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.985 -2.545 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.272 -3.752 7.737 1.00 0.00 H new ATOM 493 N LEU A 37 1.001 -1.382 5.547 1.00 0.00 N ATOM 494 CA LEU A 37 -0.326 -0.793 5.422 1.00 0.00 C ATOM 495 C LEU A 37 -1.398 -1.790 5.830 1.00 0.00 C ATOM 496 O LEU A 37 -2.557 -1.427 6.014 1.00 0.00 O ATOM 497 CB LEU A 37 -0.593 -0.332 3.992 1.00 0.00 C ATOM 498 CG LEU A 37 0.634 0.079 3.188 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.229 0.407 1.764 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.324 1.267 3.831 1.00 0.00 C ATOM 0 H LEU A 37 1.371 -1.781 4.684 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.361 0.071 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.100 -1.137 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.282 0.512 4.025 1.00 0.00 H new ATOM 0 HG LEU A 37 1.338 -0.753 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.110 0.700 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.226 -0.470 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.489 1.227 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.197 1.544 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.633 2.109 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.638 1.003 4.841 1.00 0.00 H new ATOM 511 N ASP A 38 -1.005 -3.050 5.991 1.00 0.00 N ATOM 512 CA ASP A 38 -1.947 -4.099 6.374 1.00 0.00 C ATOM 513 C ASP A 38 -2.470 -3.879 7.789 1.00 0.00 C ATOM 514 O ASP A 38 -3.357 -4.591 8.246 1.00 0.00 O ATOM 515 CB ASP A 38 -1.293 -5.483 6.279 1.00 0.00 C ATOM 516 CG ASP A 38 -0.159 -5.667 7.267 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.984 -5.305 6.929 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.402 -6.184 8.377 1.00 0.00 O ATOM 0 H ASP A 38 -0.045 -3.370 5.863 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.785 -4.053 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.048 -6.249 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.915 -5.632 5.268 1.00 0.00 H new ATOM 522 N THR A 39 -1.919 -2.888 8.471 1.00 0.00 N ATOM 523 CA THR A 39 -2.328 -2.569 9.827 1.00 0.00 C ATOM 524 C THR A 39 -3.484 -1.571 9.830 1.00 0.00 C ATOM 525 O THR A 39 -4.134 -1.361 10.856 1.00 0.00 O ATOM 526 CB THR A 39 -1.152 -1.971 10.620 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.679 -0.780 9.968 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.015 -2.971 10.728 1.00 0.00 C ATOM 0 H THR A 39 -1.182 -2.287 8.103 1.00 0.00 H new ATOM 0 HA THR A 39 -2.654 -3.497 10.297 1.00 0.00 H new ATOM 0 HB THR A 39 -1.503 -1.726 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.067 -1.025 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.806 -2.529 11.292 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.366 -3.867 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.332 -3.236 9.729 1.00 0.00 H new ATOM 536 N CYS A 40 -3.742 -0.964 8.680 1.00 0.00 N ATOM 537 CA CYS A 40 -4.799 0.031 8.575 1.00 0.00 C ATOM 538 C CYS A 40 -5.657 -0.143 7.319 1.00 0.00 C ATOM 539 O CYS A 40 -6.691 0.511 7.179 1.00 0.00 O ATOM 540 CB CYS A 40 -4.170 1.419 8.612 1.00 0.00 C ATOM 541 SG CYS A 40 -2.503 1.471 7.908 1.00 0.00 S ATOM 0 H CYS A 40 -3.237 -1.142 7.812 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.474 -0.101 9.420 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.809 2.114 8.067 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.131 1.765 9.645 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.850 2.475 8.413 1.00 0.00 H new ATOM 546 N ILE A 41 -5.240 -1.009 6.408 1.00 0.00 N ATOM 547 CA ILE A 41 -6.006 -1.253 5.193 1.00 0.00 C ATOM 548 C ILE A 41 -6.682 -2.615 5.255 1.00 0.00 C ATOM 549 O ILE A 41 -6.049 -3.614 5.604 1.00 0.00 O ATOM 550 CB ILE A 41 -5.132 -1.190 3.922 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.495 0.190 3.767 1.00 0.00 C ATOM 552 CG2 ILE A 41 -5.960 -1.531 2.693 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.678 0.340 2.502 1.00 0.00 C ATOM 0 H ILE A 41 -4.380 -1.552 6.485 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.753 -0.461 5.134 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.333 -1.925 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.280 0.946 3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.856 0.385 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.330 -1.482 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.366 -2.537 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.779 -0.818 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.256 1.344 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.871 -0.393 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.317 0.177 1.634 1.00 0.00 H new ATOM 564 N GLY A 42 -7.968 -2.650 4.929 1.00 0.00 N ATOM 565 CA GLY A 42 -8.703 -3.894 4.946 1.00 0.00 C ATOM 566 C GLY A 42 -9.850 -3.893 3.962 1.00 0.00 C ATOM 567 O GLY A 42 -10.270 -2.828 3.496 1.00 0.00 O ATOM 0 H GLY A 42 -8.514 -1.834 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.027 -4.717 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.088 -4.073 5.950 1.00 0.00 H new ATOM 571 N ASN A 43 -10.345 -5.083 3.635 1.00 0.00 N ATOM 572 CA ASN A 43 -11.456 -5.227 2.696 1.00 0.00 C ATOM 573 C ASN A 43 -12.171 -6.576 2.854 1.00 0.00 C ATOM 574 O ASN A 43 -12.308 -7.328 1.894 1.00 0.00 O ATOM 575 CB ASN A 43 -10.958 -5.060 1.250 1.00 0.00 C ATOM 576 CG ASN A 43 -9.776 -5.953 0.913 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.574 -5.434 1.084 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -9.936 -7.090 0.488 1.00 0.00 N flip ATOM 0 H ASN A 43 -9.994 -5.965 4.007 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.178 -4.442 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.776 -5.279 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.676 -4.020 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.878 -7.461 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.127 -7.666 0.255 1.00 0.00 H new ATOM 584 N PRO A 44 -12.695 -6.885 4.056 1.00 0.00 N ATOM 585 CA PRO A 44 -13.383 -8.158 4.302 1.00 0.00 C ATOM 586 C PRO A 44 -14.756 -8.218 3.628 1.00 0.00 C ATOM 587 O PRO A 44 -15.349 -9.290 3.498 1.00 0.00 O ATOM 588 CB PRO A 44 -13.532 -8.191 5.822 1.00 0.00 C ATOM 589 CG PRO A 44 -13.572 -6.760 6.226 1.00 0.00 C ATOM 590 CD PRO A 44 -12.684 -6.025 5.257 1.00 0.00 C ATOM 0 HA PRO A 44 -12.831 -9.005 3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.442 -8.713 6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.697 -8.712 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.591 -6.374 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.219 -6.634 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.066 -5.028 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.676 -5.901 5.652 1.00 0.00 H new ATOM 595 N ASN A 45 -15.262 -7.062 3.210 1.00 0.00 N ATOM 596 CA ASN A 45 -16.559 -6.991 2.547 1.00 0.00 C ATOM 597 C ASN A 45 -16.381 -6.889 1.040 1.00 0.00 C ATOM 598 O ASN A 45 -17.352 -6.931 0.283 1.00 0.00 O ATOM 599 CB ASN A 45 -17.375 -5.794 3.051 1.00 0.00 C ATOM 600 CG ASN A 45 -17.861 -5.974 4.475 1.00 0.00 C ATOM 601 OD1 ASN A 45 -18.914 -6.562 4.712 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.111 -5.447 5.430 1.00 0.00 N ATOM 0 H ASN A 45 -14.794 -6.162 3.319 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.102 -7.906 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.765 -4.893 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.233 -5.642 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.401 -5.521 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.243 -4.967 5.191 1.00 0.00 H new ATOM 608 N GLY A 46 -15.134 -6.776 0.607 1.00 0.00 N ATOM 609 CA GLY A 46 -14.855 -6.665 -0.807 1.00 0.00 C ATOM 610 C GLY A 46 -14.623 -5.232 -1.239 1.00 0.00 C ATOM 611 O GLY A 46 -14.557 -4.937 -2.431 1.00 0.00 O ATOM 0 H GLY A 46 -14.312 -6.759 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.975 -7.261 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.688 -7.082 -1.373 1.00 0.00 H new ATOM 615 N PHE A 47 -14.512 -4.334 -0.271 1.00 0.00 N ATOM 616 CA PHE A 47 -14.282 -2.930 -0.565 1.00 0.00 C ATOM 617 C PHE A 47 -13.028 -2.432 0.127 1.00 0.00 C ATOM 618 O PHE A 47 -12.825 -2.671 1.316 1.00 0.00 O ATOM 619 CB PHE A 47 -15.492 -2.092 -0.162 1.00 0.00 C ATOM 620 CG PHE A 47 -16.725 -2.445 -0.936 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.758 -2.276 -2.310 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.843 -2.952 -0.297 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.888 -2.604 -3.035 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.976 -3.282 -1.015 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.998 -3.109 -2.386 1.00 0.00 C ATOM 0 H PHE A 47 -14.578 -4.554 0.723 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.137 -2.826 -1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.685 -2.228 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.264 -1.037 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.891 -1.884 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.829 -3.091 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.903 -2.466 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.844 -3.675 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.882 -3.368 -2.949 1.00 0.00 H new ATOM 634 N LEU A 48 -12.203 -1.728 -0.626 1.00 0.00 N ATOM 635 CA LEU A 48 -10.946 -1.201 -0.122 1.00 0.00 C ATOM 636 C LEU A 48 -11.149 0.117 0.604 1.00 0.00 C ATOM 637 O LEU A 48 -11.939 0.963 0.178 1.00 0.00 O ATOM 638 CB LEU A 48 -9.970 -0.995 -1.277 1.00 0.00 C ATOM 639 CG LEU A 48 -9.392 -2.275 -1.878 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.604 -1.960 -3.133 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.510 -2.979 -0.864 1.00 0.00 C ATOM 0 H LEU A 48 -12.385 -1.505 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.540 -1.925 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.478 -0.440 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.146 -0.372 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.216 -2.938 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.199 -2.882 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.259 -1.489 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.786 -1.282 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.104 -3.890 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.691 -2.320 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.100 -3.234 0.017 1.00 0.00 H new ATOM 652 N GLY A 49 -10.437 0.274 1.703 1.00 0.00 N ATOM 653 CA GLY A 49 -10.522 1.488 2.472 1.00 0.00 C ATOM 654 C GLY A 49 -9.653 1.423 3.702 1.00 0.00 C ATOM 655 O GLY A 49 -9.095 0.366 4.015 1.00 0.00 O ATOM 0 H GLY A 49 -9.796 -0.425 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.218 2.333 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.557 1.663 2.765 1.00 0.00 H new ATOM 659 N TRP A 50 -9.540 2.539 4.396 1.00 0.00 N ATOM 660 CA TRP A 50 -8.735 2.609 5.601 1.00 0.00 C ATOM 661 C TRP A 50 -9.617 2.379 6.824 1.00 0.00 C ATOM 662 O TRP A 50 -10.618 3.072 7.023 1.00 0.00 O ATOM 663 CB TRP A 50 -8.032 3.972 5.692 1.00 0.00 C ATOM 664 CG TRP A 50 -7.026 4.212 4.598 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.249 4.799 3.383 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.634 3.871 4.627 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.075 4.844 2.659 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.076 4.275 3.399 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.808 3.264 5.571 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.729 4.087 3.094 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.473 3.077 5.267 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.944 3.486 4.038 1.00 0.00 C ATOM 0 H TRP A 50 -9.998 3.415 4.144 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.972 1.832 5.567 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.784 4.761 5.661 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.530 4.048 6.657 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.203 5.172 3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.970 5.238 1.724 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.204 2.945 6.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.320 4.405 2.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.826 2.606 5.992 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.896 3.324 3.831 1.00 0.00 H new ATOM 682 N GLY A 51 -9.241 1.407 7.639 1.00 0.00 N ATOM 683 CA GLY A 51 -10.007 1.085 8.827 1.00 0.00 C ATOM 684 C GLY A 51 -9.724 -0.318 9.307 1.00 0.00 C ATOM 685 O GLY A 51 -9.183 -0.522 10.397 1.00 0.00 O ATOM 0 H GLY A 51 -8.412 0.830 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.769 1.796 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.071 1.190 8.614 1.00 0.00 H new ATOM 689 N MET A 52 -10.078 -1.286 8.476 1.00 0.00 N ATOM 690 CA MET A 52 -9.865 -2.690 8.789 1.00 0.00 C ATOM 691 C MET A 52 -8.398 -3.043 8.544 1.00 0.00 C ATOM 692 O MET A 52 -7.643 -2.215 8.052 1.00 0.00 O ATOM 693 CB MET A 52 -10.803 -3.543 7.926 1.00 0.00 C ATOM 694 CG MET A 52 -10.839 -5.017 8.308 1.00 0.00 C ATOM 695 SD MET A 52 -11.266 -5.275 10.039 1.00 0.00 S ATOM 696 CE MET A 52 -11.200 -7.063 10.140 1.00 0.00 C ATOM 0 H MET A 52 -10.519 -1.122 7.571 1.00 0.00 H new ATOM 0 HA MET A 52 -10.090 -2.889 9.837 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.812 -3.137 7.996 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.497 -3.457 6.883 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.563 -5.534 7.678 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.865 -5.464 8.107 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.442 -7.379 11.155 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.920 -7.494 9.444 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.198 -7.405 9.883 1.00 0.00 H new ATOM 704 N GLN A 53 -7.987 -4.250 8.894 1.00 0.00 N ATOM 705 CA GLN A 53 -6.604 -4.656 8.708 1.00 0.00 C ATOM 706 C GLN A 53 -6.510 -5.993 7.988 1.00 0.00 C ATOM 707 O GLN A 53 -7.524 -6.658 7.767 1.00 0.00 O ATOM 708 CB GLN A 53 -5.899 -4.740 10.060 1.00 0.00 C ATOM 709 CG GLN A 53 -6.663 -5.552 11.095 1.00 0.00 C ATOM 710 CD GLN A 53 -5.922 -5.661 12.408 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.182 -6.616 12.637 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.103 -4.676 13.271 1.00 0.00 N ATOM 0 H GLN A 53 -8.588 -4.963 9.307 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.113 -3.905 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.913 -5.182 9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.745 -3.731 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.636 -5.091 11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.849 -6.552 10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.727 -3.903 13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.619 -4.689 14.169 1.00 0.00 H new ATOM 719 N ASN A 54 -5.282 -6.368 7.634 1.00 0.00 N ATOM 720 CA ASN A 54 -5.000 -7.626 6.946 1.00 0.00 C ATOM 721 C ASN A 54 -5.697 -7.705 5.596 1.00 0.00 C ATOM 722 O ASN A 54 -6.327 -8.712 5.267 1.00 0.00 O ATOM 723 CB ASN A 54 -5.391 -8.819 7.821 1.00 0.00 C ATOM 724 CG ASN A 54 -4.294 -9.202 8.795 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.324 -8.618 9.980 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.425 -10.016 8.477 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.451 -5.805 7.817 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.926 -7.661 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.298 -8.578 8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.623 -9.673 7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.440 -10.443 7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.690 -10.263 9.140 1.00 0.00 H new ATOM 732 N PHE A 55 -5.556 -6.647 4.806 1.00 0.00 N ATOM 733 CA PHE A 55 -6.182 -6.591 3.491 1.00 0.00 C ATOM 734 C PHE A 55 -5.558 -7.596 2.528 1.00 0.00 C ATOM 735 O PHE A 55 -6.223 -8.082 1.623 1.00 0.00 O ATOM 736 CB PHE A 55 -6.093 -5.176 2.904 1.00 0.00 C ATOM 737 CG PHE A 55 -4.737 -4.782 2.375 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.711 -4.422 3.235 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.503 -4.750 1.009 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.476 -4.043 2.741 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.272 -4.368 0.511 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.258 -4.014 1.378 1.00 0.00 C ATOM 0 H PHE A 55 -5.015 -5.818 5.053 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.232 -6.854 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.819 -5.089 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.386 -4.462 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.878 -4.438 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.292 -5.027 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.683 -3.770 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.103 -4.346 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.295 -3.715 0.991 1.00 0.00 H new ATOM 751 N SER A 56 -4.288 -7.915 2.738 1.00 0.00 N ATOM 752 CA SER A 56 -3.584 -8.852 1.874 1.00 0.00 C ATOM 753 C SER A 56 -4.211 -10.245 1.945 1.00 0.00 C ATOM 754 O SER A 56 -4.171 -11.005 0.979 1.00 0.00 O ATOM 755 CB SER A 56 -2.110 -8.912 2.271 1.00 0.00 C ATOM 756 OG SER A 56 -1.611 -7.613 2.543 1.00 0.00 O ATOM 0 H SER A 56 -3.724 -7.538 3.500 1.00 0.00 H new ATOM 0 HA SER A 56 -3.666 -8.501 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.991 -9.544 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.530 -9.369 1.469 1.00 0.00 H new ATOM 0 HG SER A 56 -1.124 -7.279 1.761 1.00 0.00 H new ATOM 761 N HIS A 57 -4.816 -10.564 3.084 1.00 0.00 N ATOM 762 CA HIS A 57 -5.450 -11.866 3.271 1.00 0.00 C ATOM 763 C HIS A 57 -6.824 -11.903 2.617 1.00 0.00 C ATOM 764 O HIS A 57 -7.451 -12.958 2.518 1.00 0.00 O ATOM 765 CB HIS A 57 -5.563 -12.215 4.754 1.00 0.00 C ATOM 766 CG HIS A 57 -4.267 -12.663 5.355 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.612 -11.970 6.351 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.503 -13.749 5.095 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.503 -12.610 6.671 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.413 -13.692 5.924 1.00 0.00 N ATOM 0 H HIS A 57 -4.881 -9.942 3.890 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.817 -12.611 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.927 -11.344 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.306 -13.003 4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.713 -14.519 4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.789 -12.299 7.419 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.656 -14.375 5.957 1.00 0.00 H new ATOM 778 N SER A 58 -7.290 -10.747 2.170 1.00 0.00 N ATOM 779 CA SER A 58 -8.583 -10.652 1.522 1.00 0.00 C ATOM 780 C SER A 58 -8.451 -9.995 0.150 1.00 0.00 C ATOM 781 O SER A 58 -9.433 -9.576 -0.446 1.00 0.00 O ATOM 782 CB SER A 58 -9.560 -9.872 2.410 1.00 0.00 C ATOM 783 OG SER A 58 -9.031 -8.605 2.768 1.00 0.00 O ATOM 0 H SER A 58 -6.789 -9.862 2.246 1.00 0.00 H new ATOM 0 HA SER A 58 -8.976 -11.658 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.506 -9.739 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.774 -10.447 3.311 1.00 0.00 H new ATOM 0 HG SER A 58 -8.183 -8.460 2.299 1.00 0.00 H new ATOM 788 N SER A 59 -7.233 -9.914 -0.356 1.00 0.00 N ATOM 789 CA SER A 59 -6.999 -9.306 -1.656 1.00 0.00 C ATOM 790 C SER A 59 -6.081 -10.167 -2.503 1.00 0.00 C ATOM 791 O SER A 59 -5.236 -10.900 -1.988 1.00 0.00 O ATOM 792 CB SER A 59 -6.404 -7.905 -1.506 1.00 0.00 C ATOM 793 OG SER A 59 -7.304 -7.034 -0.841 1.00 0.00 O ATOM 0 H SER A 59 -6.394 -10.259 0.110 1.00 0.00 H new ATOM 0 HA SER A 59 -7.963 -9.225 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.469 -7.962 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.164 -7.502 -2.490 1.00 0.00 H new ATOM 0 HG SER A 59 -7.195 -7.129 0.128 1.00 0.00 H new ATOM 798 N GLU A 60 -6.270 -10.078 -3.805 1.00 0.00 N ATOM 799 CA GLU A 60 -5.478 -10.832 -4.759 1.00 0.00 C ATOM 800 C GLU A 60 -4.864 -9.877 -5.774 1.00 0.00 C ATOM 801 O GLU A 60 -5.504 -8.898 -6.165 1.00 0.00 O ATOM 802 CB GLU A 60 -6.368 -11.859 -5.458 1.00 0.00 C ATOM 803 CG GLU A 60 -7.114 -12.755 -4.483 1.00 0.00 C ATOM 804 CD GLU A 60 -8.223 -13.545 -5.136 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.823 -13.047 -6.108 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.509 -14.667 -4.668 1.00 0.00 O ATOM 0 H GLU A 60 -6.978 -9.480 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.675 -11.358 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.088 -11.339 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.755 -12.476 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.409 -13.445 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.533 -12.143 -3.684 1.00 0.00 H new ATOM 811 N ASP A 61 -3.627 -10.159 -6.177 1.00 0.00 N ATOM 812 CA ASP A 61 -2.904 -9.327 -7.146 1.00 0.00 C ATOM 813 C ASP A 61 -2.748 -7.904 -6.613 1.00 0.00 C ATOM 814 O ASP A 61 -3.479 -6.990 -6.999 1.00 0.00 O ATOM 815 CB ASP A 61 -3.610 -9.310 -8.510 1.00 0.00 C ATOM 816 CG ASP A 61 -2.749 -8.691 -9.596 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.787 -9.354 -10.034 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.033 -7.552 -10.025 1.00 0.00 O ATOM 0 H ASP A 61 -3.097 -10.965 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.915 -9.764 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.872 -10.329 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.543 -8.752 -8.427 1.00 0.00 H new ATOM 822 N ILE A 62 -1.795 -7.734 -5.716 1.00 0.00 N ATOM 823 CA ILE A 62 -1.545 -6.441 -5.099 1.00 0.00 C ATOM 824 C ILE A 62 -0.333 -5.751 -5.724 1.00 0.00 C ATOM 825 O ILE A 62 0.791 -6.243 -5.628 1.00 0.00 O ATOM 826 CB ILE A 62 -1.320 -6.609 -3.581 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.538 -7.288 -2.945 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.045 -5.265 -2.926 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.362 -7.614 -1.479 1.00 0.00 C ATOM 0 H ILE A 62 -1.177 -8.479 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.422 -5.816 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.446 -7.241 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.406 -6.638 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.754 -8.208 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.889 -5.407 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.152 -4.821 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.896 -4.602 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.266 -8.092 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.516 -8.290 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.178 -6.696 -0.922 1.00 0.00 H new ATOM 840 N LYS A 63 -0.572 -4.617 -6.374 1.00 0.00 N ATOM 841 CA LYS A 63 0.493 -3.852 -7.009 1.00 0.00 C ATOM 842 C LYS A 63 0.143 -2.366 -6.979 1.00 0.00 C ATOM 843 O LYS A 63 -1.021 -2.004 -6.857 1.00 0.00 O ATOM 844 CB LYS A 63 0.707 -4.338 -8.447 1.00 0.00 C ATOM 845 CG LYS A 63 1.921 -3.721 -9.131 1.00 0.00 C ATOM 846 CD LYS A 63 2.270 -4.440 -10.424 1.00 0.00 C ATOM 847 CE LYS A 63 2.637 -5.894 -10.168 1.00 0.00 C ATOM 848 NZ LYS A 63 3.087 -6.582 -11.408 1.00 0.00 N ATOM 0 H LYS A 63 -1.500 -4.206 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 63 1.424 -4.001 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.817 -5.422 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.183 -4.111 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.724 -2.670 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.775 -3.755 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.423 -4.392 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.103 -3.933 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.428 -5.942 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.775 -6.418 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.327 -7.570 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.324 -6.560 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.925 -6.098 -11.789 1.00 0.00 H new ATOM 858 N LEU A 64 1.148 -1.510 -7.070 1.00 0.00 N ATOM 859 CA LEU A 64 0.932 -0.070 -7.040 1.00 0.00 C ATOM 860 C LEU A 64 0.550 0.453 -8.421 1.00 0.00 C ATOM 861 O LEU A 64 1.145 0.078 -9.431 1.00 0.00 O ATOM 862 CB LEU A 64 2.187 0.624 -6.516 1.00 0.00 C ATOM 863 CG LEU A 64 2.497 0.328 -5.049 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.945 0.657 -4.721 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.561 1.111 -4.144 1.00 0.00 C ATOM 0 H LEU A 64 2.125 -1.787 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 64 0.102 0.151 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.038 0.320 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.073 1.701 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 64 2.344 -0.738 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.139 0.437 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.605 0.056 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.130 1.714 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.793 0.890 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.687 2.178 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.530 0.827 -4.354 1.00 0.00 H new ATOM 876 N GLU A 65 -0.453 1.323 -8.443 1.00 0.00 N ATOM 877 CA GLU A 65 -0.959 1.899 -9.680 1.00 0.00 C ATOM 878 C GLU A 65 -0.224 3.191 -10.020 1.00 0.00 C ATOM 879 O GLU A 65 0.381 3.312 -11.079 1.00 0.00 O ATOM 880 CB GLU A 65 -2.458 2.165 -9.534 1.00 0.00 C ATOM 881 CG GLU A 65 -3.114 2.731 -10.780 1.00 0.00 C ATOM 882 CD GLU A 65 -3.027 1.791 -11.966 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.495 0.640 -11.859 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.512 2.206 -13.022 1.00 0.00 O ATOM 0 H GLU A 65 -0.936 1.647 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.790 1.194 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.956 1.233 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.614 2.859 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.161 2.946 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.640 3.678 -11.037 1.00 0.00 H new ATOM 889 N GLU A 66 -0.261 4.147 -9.099 1.00 0.00 N ATOM 890 CA GLU A 66 0.388 5.438 -9.301 1.00 0.00 C ATOM 891 C GLU A 66 1.862 5.373 -8.934 1.00 0.00 C ATOM 892 O GLU A 66 2.475 6.380 -8.578 1.00 0.00 O ATOM 893 CB GLU A 66 -0.307 6.497 -8.461 1.00 0.00 C ATOM 894 CG GLU A 66 -1.778 6.621 -8.770 1.00 0.00 C ATOM 895 CD GLU A 66 -2.030 7.180 -10.152 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.935 8.414 -10.322 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.311 6.391 -11.074 1.00 0.00 O ATOM 0 H GLU A 66 -0.736 4.052 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 66 0.312 5.699 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.182 6.256 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.176 7.460 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.248 5.641 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.249 7.266 -8.028 1.00 0.00 H new ATOM 902 N GLY A 67 2.408 4.173 -8.992 1.00 0.00 N ATOM 903 CA GLY A 67 3.808 3.967 -8.675 1.00 0.00 C ATOM 904 C GLY A 67 4.107 4.190 -7.208 1.00 0.00 C ATOM 905 O GLY A 67 5.260 4.373 -6.828 1.00 0.00 O ATOM 0 H GLY A 67 1.903 3.327 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.095 2.952 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.417 4.644 -9.274 1.00 0.00 H new ATOM 909 N GLY A 68 3.066 4.192 -6.380 1.00 0.00 N ATOM 910 CA GLY A 68 3.270 4.389 -4.962 1.00 0.00 C ATOM 911 C GLY A 68 2.199 5.246 -4.330 1.00 0.00 C ATOM 912 O GLY A 68 1.904 5.096 -3.149 1.00 0.00 O ATOM 0 H GLY A 68 2.095 4.062 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.293 3.419 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.243 4.853 -4.801 1.00 0.00 H new ATOM 916 N ARG A 69 1.608 6.136 -5.117 1.00 0.00 N ATOM 917 CA ARG A 69 0.567 7.026 -4.606 1.00 0.00 C ATOM 918 C ARG A 69 -0.728 6.257 -4.372 1.00 0.00 C ATOM 919 O ARG A 69 -1.553 6.641 -3.546 1.00 0.00 O ATOM 920 CB ARG A 69 0.278 8.160 -5.596 1.00 0.00 C ATOM 921 CG ARG A 69 1.508 8.795 -6.221 1.00 0.00 C ATOM 922 CD ARG A 69 2.181 9.785 -5.290 1.00 0.00 C ATOM 923 NE ARG A 69 3.316 10.436 -5.939 1.00 0.00 N ATOM 924 CZ ARG A 69 3.590 11.736 -5.837 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.796 12.533 -5.131 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.654 12.240 -6.449 1.00 0.00 N ATOM 0 H ARG A 69 1.828 6.262 -6.105 1.00 0.00 H new ATOM 0 HA ARG A 69 0.931 7.443 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.357 7.773 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.291 8.935 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.219 8.014 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.224 9.302 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.459 10.538 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.520 9.270 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 69 3.938 9.859 -6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.973 12.150 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.009 13.528 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.262 11.632 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.864 13.235 -6.371 1.00 0.00 H new ATOM 937 N LYS A 70 -0.895 5.162 -5.099 1.00 0.00 N ATOM 938 CA LYS A 70 -2.103 4.363 -4.998 1.00 0.00 C ATOM 939 C LYS A 70 -1.796 2.887 -5.204 1.00 0.00 C ATOM 940 O LYS A 70 -0.950 2.535 -6.029 1.00 0.00 O ATOM 941 CB LYS A 70 -3.104 4.834 -6.052 1.00 0.00 C ATOM 942 CG LYS A 70 -4.519 4.326 -5.824 1.00 0.00 C ATOM 943 CD LYS A 70 -5.516 4.965 -6.779 1.00 0.00 C ATOM 944 CE LYS A 70 -5.230 4.602 -8.230 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.210 5.222 -9.160 1.00 0.00 N ATOM 0 H LYS A 70 -0.208 4.808 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.525 4.487 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.117 5.924 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.764 4.507 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.540 3.243 -5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.817 4.534 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.525 4.645 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.485 6.048 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.224 4.927 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.256 3.518 -8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.981 4.951 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.168 4.893 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.168 6.257 -9.069 1.00 0.00 H new ATOM 955 N LEU A 71 -2.483 2.038 -4.457 1.00 0.00 N ATOM 956 CA LEU A 71 -2.306 0.596 -4.548 1.00 0.00 C ATOM 957 C LEU A 71 -3.558 -0.040 -5.142 1.00 0.00 C ATOM 958 O LEU A 71 -4.672 0.268 -4.725 1.00 0.00 O ATOM 959 CB LEU A 71 -2.011 0.031 -3.150 1.00 0.00 C ATOM 960 CG LEU A 71 -1.834 -1.488 -3.043 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.896 -1.821 -1.893 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.178 -2.177 -2.830 1.00 0.00 C ATOM 0 H LEU A 71 -3.179 2.328 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.465 0.365 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.104 0.506 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.823 0.326 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.404 -1.850 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.775 -2.902 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.075 -1.358 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.314 -1.442 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.027 -3.254 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.633 -1.811 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.836 -1.959 -3.671 1.00 0.00 H new ATOM 973 N THR A 72 -3.376 -0.904 -6.123 1.00 0.00 N ATOM 974 CA THR A 72 -4.487 -1.581 -6.763 1.00 0.00 C ATOM 975 C THR A 72 -4.431 -3.084 -6.512 1.00 0.00 C ATOM 976 O THR A 72 -3.392 -3.724 -6.691 1.00 0.00 O ATOM 977 CB THR A 72 -4.508 -1.305 -8.277 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.167 -1.226 -8.783 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.251 -0.013 -8.580 1.00 0.00 C ATOM 0 H THR A 72 -2.460 -1.155 -6.496 1.00 0.00 H new ATOM 0 HA THR A 72 -5.404 -1.187 -6.324 1.00 0.00 H new ATOM 0 HB THR A 72 -5.029 -2.128 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.602 -1.875 -8.315 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.253 0.162 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.278 -0.092 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.755 0.818 -8.078 1.00 0.00 H new ATOM 987 N CYS A 73 -5.552 -3.634 -6.085 1.00 0.00 N ATOM 988 CA CYS A 73 -5.650 -5.054 -5.807 1.00 0.00 C ATOM 989 C CYS A 73 -7.090 -5.503 -5.985 1.00 0.00 C ATOM 990 O CYS A 73 -7.997 -4.681 -6.070 1.00 0.00 O ATOM 991 CB CYS A 73 -5.172 -5.357 -4.384 1.00 0.00 C ATOM 992 SG CYS A 73 -6.100 -4.501 -3.091 1.00 0.00 S ATOM 0 H CYS A 73 -6.414 -3.114 -5.922 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.012 -5.599 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.238 -6.431 -4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.120 -5.085 -4.301 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.688 -5.374 -2.328 1.00 0.00 H new ATOM 997 N ARG A 74 -7.303 -6.797 -6.067 1.00 0.00 N ATOM 998 CA ARG A 74 -8.644 -7.324 -6.225 1.00 0.00 C ATOM 999 C ARG A 74 -9.137 -7.853 -4.886 1.00 0.00 C ATOM 1000 O ARG A 74 -8.771 -8.953 -4.469 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.647 -8.404 -7.313 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.022 -8.924 -7.708 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.452 -10.139 -6.896 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.756 -10.630 -7.340 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.140 -11.907 -7.315 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.332 -12.853 -6.854 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.342 -12.238 -7.767 1.00 0.00 N ATOM 0 H ARG A 74 -6.569 -7.504 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.328 -6.538 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.159 -8.003 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.044 -9.244 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.756 -8.129 -7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.016 -9.184 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.708 -10.930 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.499 -9.877 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.422 -9.944 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.403 -12.608 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.640 -13.825 -6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.966 -11.518 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.642 -13.213 -7.751 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.949 -7.049 -4.184 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.496 -7.419 -2.883 1.00 0.00 C ATOM 1020 C PRO A 75 -11.527 -8.523 -3.009 1.00 0.00 C ATOM 1021 O PRO A 75 -12.496 -8.394 -3.753 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.144 -6.125 -2.389 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.508 -5.400 -3.634 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.422 -5.722 -4.618 1.00 0.00 C ATOM 0 HA PRO A 75 -9.736 -7.806 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.022 -6.328 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.455 -5.543 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.481 -5.721 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.572 -4.326 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.800 -5.745 -5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.622 -4.982 -4.590 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.291 -9.612 -2.308 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.179 -10.751 -2.328 1.00 0.00 C ATOM 1031 C LYS A 76 -12.718 -11.039 -0.935 1.00 0.00 C ATOM 1032 O LYS A 76 -12.022 -10.861 0.063 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.451 -11.971 -2.902 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.038 -12.172 -2.357 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.014 -12.952 -1.051 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.115 -14.449 -1.280 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.943 -14.997 -2.019 1.00 0.00 N ATOM 0 H LYS A 76 -10.475 -9.731 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.030 -10.523 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.040 -12.864 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.399 -11.872 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.439 -12.698 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.572 -11.199 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.093 -12.729 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.840 -12.626 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.202 -14.955 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.026 -14.667 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.891 -16.026 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.047 -14.795 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.071 -14.553 -1.666 1.00 0.00 H new ATOM 1047 N THR A 77 -13.966 -11.471 -0.865 1.00 0.00 N ATOM 1048 CA THR A 77 -14.570 -11.783 0.412 1.00 0.00 C ATOM 1049 C THR A 77 -14.053 -13.125 0.893 1.00 0.00 C ATOM 1050 O THR A 77 -13.897 -14.062 0.100 1.00 0.00 O ATOM 1051 CB THR A 77 -16.110 -11.823 0.346 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.639 -11.922 1.673 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.591 -13.002 -0.490 1.00 0.00 C ATOM 0 H THR A 77 -14.574 -11.612 -1.672 1.00 0.00 H new ATOM 0 HA THR A 77 -14.296 -10.989 1.107 1.00 0.00 H new ATOM 0 HB THR A 77 -16.462 -10.906 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.249 -12.687 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.681 -13.006 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.200 -12.913 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.237 -13.932 -0.045 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.808 -13.208 2.190 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.289 -14.417 2.810 1.00 0.00 C ATOM 1063 C VAL A 78 -14.368 -15.500 2.906 1.00 0.00 C ATOM 1064 O VAL A 78 -14.079 -16.652 3.231 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.711 -14.109 4.210 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -13.811 -13.725 5.188 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.892 -15.277 4.742 1.00 0.00 C ATOM 0 H VAL A 78 -13.963 -12.440 2.843 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.486 -14.795 2.177 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.042 -13.255 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.373 -13.514 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.329 -12.838 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.521 -14.547 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.500 -15.027 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.525 -16.161 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.064 -15.480 4.063 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.610 -15.127 2.610 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.727 -16.071 2.650 1.00 0.00 C ATOM 1079 C ASP A 79 -16.549 -17.167 1.607 1.00 0.00 C ATOM 1080 O ASP A 79 -17.111 -18.257 1.728 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.057 -15.354 2.409 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.445 -14.447 3.554 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.950 -14.955 4.575 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.246 -13.223 3.442 1.00 0.00 O ATOM 0 H ASP A 79 -15.870 -14.178 2.340 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.740 -16.521 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.988 -14.767 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.842 -16.095 2.255 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.769 -16.870 0.579 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.529 -17.844 -0.469 1.00 0.00 C ATOM 1090 C GLY A 80 -14.374 -17.465 -1.373 1.00 0.00 C ATOM 1091 O GLY A 80 -13.785 -18.323 -2.026 1.00 0.00 O ATOM 0 H GLY A 80 -15.298 -15.974 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.326 -18.815 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.432 -17.955 -1.069 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.040 -16.181 -1.409 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.958 -15.722 -2.249 1.00 0.00 C ATOM 1097 C GLY A 81 -13.464 -15.075 -3.515 1.00 0.00 C ATOM 1098 O GLY A 81 -12.737 -14.955 -4.501 1.00 0.00 O ATOM 0 H GLY A 81 -14.502 -15.450 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.347 -15.009 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.314 -16.564 -2.504 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.712 -14.644 -3.473 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.352 -14.017 -4.626 1.00 0.00 C ATOM 1104 C PHE A 82 -15.584 -12.544 -4.346 1.00 0.00 C ATOM 1105 O PHE A 82 -15.811 -12.186 -3.197 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.680 -14.721 -4.948 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.577 -14.902 -3.753 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.419 -15.996 -2.917 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.572 -13.979 -3.458 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.230 -16.168 -1.814 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.388 -14.149 -2.354 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.213 -15.247 -1.531 1.00 0.00 C ATOM 0 H PHE A 82 -15.309 -14.715 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.697 -14.112 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.211 -14.145 -5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.467 -15.698 -5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.651 -16.724 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.710 -13.120 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.093 -17.026 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.160 -13.426 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.847 -15.381 -0.667 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.520 -11.704 -5.383 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.733 -10.261 -5.234 1.00 0.00 C ATOM 1123 C ARG A 83 -15.347 -9.508 -6.507 1.00 0.00 C ATOM 1124 O ARG A 83 -15.338 -10.080 -7.598 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.912 -9.720 -4.080 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.661 -8.790 -3.146 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.560 -9.564 -2.195 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.893 -9.797 -2.755 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.028 -9.602 -2.079 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.991 -9.139 -0.834 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.197 -9.857 -2.653 1.00 0.00 N ATOM 0 H ARG A 83 -15.322 -12.000 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.794 -10.109 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.527 -10.560 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.050 -9.189 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.949 -8.196 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.261 -8.092 -3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.096 -10.521 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.653 -9.014 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.958 -10.128 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.095 -8.932 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.859 -8.991 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.230 -10.203 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.063 -9.707 -2.135 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.003 -8.231 -6.342 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.642 -7.354 -7.454 1.00 0.00 C ATOM 1144 C GLU A 84 -13.199 -6.879 -7.309 1.00 0.00 C ATOM 1145 O GLU A 84 -12.488 -7.306 -6.405 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.565 -6.131 -7.446 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.048 -6.460 -7.506 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.500 -6.894 -8.883 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.537 -6.039 -9.794 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.839 -8.083 -9.060 1.00 0.00 O ATOM 0 H GLU A 84 -14.967 -7.775 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.746 -7.906 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.371 -5.551 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.312 -5.495 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.268 -7.252 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.622 -5.585 -7.200 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.771 -6.004 -8.210 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.428 -5.438 -8.158 1.00 0.00 C ATOM 1157 C ARG A 85 -11.542 -3.963 -7.790 1.00 0.00 C ATOM 1158 O ARG A 85 -12.581 -3.347 -8.032 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.710 -5.605 -9.499 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.229 -5.265 -9.445 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.560 -5.451 -10.795 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.152 -5.062 -10.761 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.610 -4.170 -11.588 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.341 -3.621 -12.551 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.331 -3.846 -11.458 1.00 0.00 N ATOM 0 H ARG A 85 -13.337 -5.669 -8.989 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.839 -5.964 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.825 -6.635 -9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.193 -4.970 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.104 -4.233 -9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.737 -5.897 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.642 -6.494 -11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.083 -4.857 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.549 -5.499 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.321 -3.882 -12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.922 -2.938 -13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.767 -4.279 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.911 -3.163 -12.089 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.489 -3.390 -7.217 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.541 -1.986 -6.800 1.00 0.00 C ATOM 1178 C GLN A 86 -9.138 -1.427 -6.507 1.00 0.00 C ATOM 1179 O GLN A 86 -8.141 -2.139 -6.594 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.438 -1.884 -5.552 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.777 -0.466 -5.114 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.676 -0.426 -3.890 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.544 -1.421 -3.749 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.595 0.494 -3.077 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.604 -3.861 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.955 -1.387 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.367 -2.419 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.943 -2.394 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.854 0.073 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.267 0.056 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.916 1.241 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.207 0.509 -2.261 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.071 -0.138 -6.186 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.810 0.497 -5.860 1.00 0.00 C ATOM 1193 C GLY A 87 -7.950 1.429 -4.671 1.00 0.00 C ATOM 1194 O GLY A 87 -8.959 2.128 -4.541 1.00 0.00 O ATOM 0 H GLY A 87 -9.879 0.483 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.063 -0.266 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.449 1.057 -6.723 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.952 1.443 -3.803 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.979 2.291 -2.620 1.00 0.00 C ATOM 1200 C ILE A 88 -5.828 3.291 -2.647 1.00 0.00 C ATOM 1201 O ILE A 88 -4.683 2.945 -2.953 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.935 1.467 -1.309 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.867 2.398 -0.095 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.762 0.496 -1.313 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.970 1.680 1.232 1.00 0.00 C ATOM 0 H ILE A 88 -6.110 0.875 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.925 2.832 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.852 0.881 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.929 2.952 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.672 3.130 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.755 -0.070 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.861 -0.191 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.829 1.052 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.914 2.406 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.920 1.149 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.150 0.968 1.325 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.155 4.535 -2.349 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.181 5.615 -2.336 1.00 0.00 C ATOM 1218 C ASP A 89 -4.287 5.526 -1.097 1.00 0.00 C ATOM 1219 O ASP A 89 -4.772 5.282 0.009 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.923 6.950 -2.381 1.00 0.00 C ATOM 1221 CG ASP A 89 -4.994 8.135 -2.420 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -4.563 8.583 -1.345 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -4.703 8.633 -3.528 1.00 0.00 O ATOM 0 H ASP A 89 -7.102 4.827 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.534 5.532 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.569 6.972 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.570 7.030 -1.507 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.982 5.725 -1.283 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.023 5.629 -0.182 1.00 0.00 C ATOM 1229 C LEU A 90 -1.421 6.974 0.203 1.00 0.00 C ATOM 1230 O LEU A 90 -0.243 7.059 0.556 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.889 4.697 -0.564 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.307 3.317 -1.031 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.071 2.535 -1.390 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.115 2.602 0.038 1.00 0.00 C ATOM 0 H LEU A 90 -2.565 5.954 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.579 5.248 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.306 5.168 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.228 4.586 0.296 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.947 3.407 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.356 1.539 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.466 3.049 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.573 2.450 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.402 1.614 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.513 2.498 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.011 3.180 0.265 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.220 8.015 0.158 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.746 9.350 0.521 1.00 0.00 C ATOM 1247 C ASN A 91 -1.576 9.478 2.025 1.00 0.00 C ATOM 1248 O ASN A 91 -1.144 10.511 2.531 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.692 10.428 0.002 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.250 10.966 -1.345 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.698 10.333 -2.418 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.497 11.942 -1.417 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.199 7.974 -0.124 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.773 9.492 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.698 10.018 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.741 11.245 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.175 12.401 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.197 12.289 -2.328 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.912 8.410 2.729 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.789 8.366 4.173 1.00 0.00 C ATOM 1260 C ARG A 92 -0.398 7.891 4.567 1.00 0.00 C ATOM 1261 O ARG A 92 -0.007 7.953 5.731 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.832 7.424 4.758 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.251 7.943 4.676 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.140 7.207 5.656 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.850 7.584 7.038 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.733 7.522 8.032 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.975 7.105 7.809 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.365 7.881 9.252 1.00 0.00 N ATOM 0 H ARG A 92 -2.277 7.552 2.315 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.950 9.370 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.776 6.468 4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.587 7.232 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.267 9.011 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.633 7.817 3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.185 7.422 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.003 6.132 5.536 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.910 7.916 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.259 6.829 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.644 7.061 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.412 8.202 9.424 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.034 7.837 10.020 1.00 0.00 H new ATOM 1279 N ILE A 93 0.343 7.402 3.586 1.00 0.00 N ATOM 1280 CA ILE A 93 1.685 6.901 3.824 1.00 0.00 C ATOM 1281 C ILE A 93 2.695 7.972 3.437 1.00 0.00 C ATOM 1282 O ILE A 93 3.015 8.159 2.260 1.00 0.00 O ATOM 1283 CB ILE A 93 1.935 5.590 3.044 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.754 4.636 3.250 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.230 4.924 3.496 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.439 4.365 4.709 1.00 0.00 C ATOM 0 H ILE A 93 0.036 7.342 2.615 1.00 0.00 H new ATOM 0 HA ILE A 93 1.799 6.671 4.883 1.00 0.00 H new ATOM 0 HB ILE A 93 2.029 5.829 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.129 5.055 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.970 3.691 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.382 4.004 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.067 5.600 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.168 4.692 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.408 3.682 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.307 3.916 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.191 5.302 5.208 1.00 0.00 H new ATOM 1297 N GLN A 94 3.168 8.690 4.441 1.00 0.00 N ATOM 1298 CA GLN A 94 4.107 9.779 4.238 1.00 0.00 C ATOM 1299 C GLN A 94 5.508 9.413 4.715 1.00 0.00 C ATOM 1300 O GLN A 94 5.679 8.586 5.613 1.00 0.00 O ATOM 1301 CB GLN A 94 3.627 11.018 5.002 1.00 0.00 C ATOM 1302 CG GLN A 94 3.113 12.147 4.122 1.00 0.00 C ATOM 1303 CD GLN A 94 4.219 12.833 3.341 1.00 0.00 C ATOM 1304 OE1 GLN A 94 4.452 12.381 2.122 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 4.846 13.774 3.824 1.00 0.00 N flip ATOM 0 H GLN A 94 2.913 8.535 5.416 1.00 0.00 H new ATOM 0 HA GLN A 94 4.153 9.983 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.834 10.721 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.450 11.395 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.374 11.751 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.603 12.883 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.637 14.094 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.575 14.234 3.279 1.00 0.00 H new ATOM 1312 N ASN A 95 6.504 10.028 4.101 1.00 0.00 N ATOM 1313 CA ASN A 95 7.892 9.813 4.473 1.00 0.00 C ATOM 1314 C ASN A 95 8.410 11.043 5.211 1.00 0.00 C ATOM 1315 O ASN A 95 8.652 12.091 4.614 1.00 0.00 O ATOM 1316 CB ASN A 95 8.771 9.511 3.246 1.00 0.00 C ATOM 1317 CG ASN A 95 8.734 10.597 2.180 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.703 11.232 1.946 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.866 10.821 1.532 1.00 0.00 N ATOM 0 H ASN A 95 6.375 10.688 3.334 1.00 0.00 H new ATOM 0 HA ASN A 95 7.943 8.942 5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.801 9.372 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.448 8.569 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.907 11.540 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.698 10.274 1.755 1.00 0.00 H new ATOM 1325 N VAL A 96 8.556 10.923 6.516 1.00 0.00 N ATOM 1326 CA VAL A 96 9.040 12.029 7.321 1.00 0.00 C ATOM 1327 C VAL A 96 10.531 11.867 7.595 1.00 0.00 C ATOM 1328 O VAL A 96 10.962 10.915 8.249 1.00 0.00 O ATOM 1329 CB VAL A 96 8.246 12.171 8.643 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.310 10.903 9.473 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.741 13.362 9.448 1.00 0.00 C ATOM 0 H VAL A 96 8.347 10.074 7.041 1.00 0.00 H new ATOM 0 HA VAL A 96 8.884 12.947 6.755 1.00 0.00 H new ATOM 0 HB VAL A 96 7.202 12.342 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.741 11.041 10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.886 10.075 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.349 10.681 9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.168 13.440 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.796 13.227 9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.615 14.274 8.864 1.00 0.00 H new ATOM 1341 N ASN A 97 11.318 12.783 7.040 1.00 0.00 N ATOM 1342 CA ASN A 97 12.771 12.772 7.198 1.00 0.00 C ATOM 1343 C ASN A 97 13.365 11.473 6.661 1.00 0.00 C ATOM 1344 O ASN A 97 14.387 10.997 7.145 1.00 0.00 O ATOM 1345 CB ASN A 97 13.159 12.953 8.667 1.00 0.00 C ATOM 1346 CG ASN A 97 14.085 14.131 8.876 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.308 13.998 8.801 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.508 15.292 9.133 1.00 0.00 N ATOM 0 H ASN A 97 10.969 13.553 6.469 1.00 0.00 H new ATOM 0 HA ASN A 97 13.175 13.606 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.258 13.092 9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.643 12.045 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.079 16.124 9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.491 15.356 9.186 1.00 0.00 H new ATOM 1354 N GLY A 98 12.710 10.902 5.657 1.00 0.00 N ATOM 1355 CA GLY A 98 13.179 9.664 5.068 1.00 0.00 C ATOM 1356 C GLY A 98 12.551 8.427 5.690 1.00 0.00 C ATOM 1357 O GLY A 98 12.648 7.333 5.131 1.00 0.00 O ATOM 0 H GLY A 98 11.858 11.277 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.964 9.674 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.262 9.606 5.175 1.00 0.00 H new ATOM 1361 N ARG A 99 11.895 8.584 6.835 1.00 0.00 N ATOM 1362 CA ARG A 99 11.267 7.448 7.503 1.00 0.00 C ATOM 1363 C ARG A 99 9.819 7.313 7.062 1.00 0.00 C ATOM 1364 O ARG A 99 9.068 8.286 7.064 1.00 0.00 O ATOM 1365 CB ARG A 99 11.322 7.582 9.030 1.00 0.00 C ATOM 1366 CG ARG A 99 12.726 7.695 9.608 1.00 0.00 C ATOM 1367 CD ARG A 99 13.188 9.141 9.672 1.00 0.00 C ATOM 1368 NE ARG A 99 14.522 9.272 10.253 1.00 0.00 N ATOM 1369 CZ ARG A 99 14.860 10.206 11.141 1.00 0.00 C ATOM 1370 NH1 ARG A 99 13.938 11.024 11.638 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.115 10.302 11.555 1.00 0.00 N ATOM 0 H ARG A 99 11.784 9.476 7.316 1.00 0.00 H new ATOM 0 HA ARG A 99 11.826 6.556 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.750 8.462 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.829 6.718 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.745 7.262 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.420 7.117 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.188 9.565 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.479 9.721 10.262 1.00 0.00 H new ATOM 0 HE ARG A 99 15.239 8.608 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.966 10.938 11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.202 11.737 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.822 9.661 11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.375 11.017 12.235 1.00 0.00 H new ATOM 1382 N LEU A 100 9.431 6.105 6.684 1.00 0.00 N ATOM 1383 CA LEU A 100 8.068 5.852 6.242 1.00 0.00 C ATOM 1384 C LEU A 100 7.166 5.604 7.444 1.00 0.00 C ATOM 1385 O LEU A 100 7.349 4.626 8.173 1.00 0.00 O ATOM 1386 CB LEU A 100 8.027 4.651 5.296 1.00 0.00 C ATOM 1387 CG LEU A 100 7.172 4.853 4.048 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.763 5.946 3.182 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.055 3.554 3.263 1.00 0.00 C ATOM 0 H LEU A 100 10.039 5.286 6.674 1.00 0.00 H new ATOM 0 HA LEU A 100 7.708 6.729 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.045 4.413 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.649 3.787 5.843 1.00 0.00 H new ATOM 0 HG LEU A 100 6.171 5.155 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.145 6.081 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.798 6.878 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.773 5.666 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.442 3.718 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.048 3.221 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.591 2.791 3.889 1.00 0.00 H new ATOM 1400 N VAL A 101 6.203 6.492 7.654 1.00 0.00 N ATOM 1401 CA VAL A 101 5.278 6.374 8.775 1.00 0.00 C ATOM 1402 C VAL A 101 3.839 6.511 8.291 1.00 0.00 C ATOM 1403 O VAL A 101 3.555 7.298 7.384 1.00 0.00 O ATOM 1404 CB VAL A 101 5.555 7.458 9.845 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.646 7.288 11.055 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.014 7.435 10.273 1.00 0.00 C ATOM 0 H VAL A 101 6.041 7.305 7.060 1.00 0.00 H new ATOM 0 HA VAL A 101 5.426 5.391 9.221 1.00 0.00 H new ATOM 0 HB VAL A 101 5.340 8.427 9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.866 8.065 11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.605 7.369 10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.815 6.309 11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.185 8.205 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.255 6.458 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.650 7.625 9.408 1.00 0.00 H new ATOM 1416 N PHE A 102 2.936 5.742 8.882 1.00 0.00 N ATOM 1417 CA PHE A 102 1.534 5.808 8.514 1.00 0.00 C ATOM 1418 C PHE A 102 0.852 6.932 9.264 1.00 0.00 C ATOM 1419 O PHE A 102 0.859 6.975 10.495 1.00 0.00 O ATOM 1420 CB PHE A 102 0.822 4.486 8.794 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.678 4.612 8.896 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.427 5.205 7.884 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.336 4.146 10.021 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.795 5.317 7.996 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.706 4.260 10.135 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.437 4.844 9.120 1.00 0.00 C ATOM 0 H PHE A 102 3.151 5.067 9.616 1.00 0.00 H new ATOM 0 HA PHE A 102 1.477 6.001 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.065 3.778 8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.206 4.067 9.724 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.930 5.581 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.770 3.688 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.365 5.776 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.207 3.892 11.018 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.510 4.930 9.207 1.00 0.00 H new ATOM 1435 N GLN A 103 0.267 7.836 8.514 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.427 8.961 9.089 1.00 0.00 C ATOM 1437 C GLN A 103 -1.759 9.177 8.388 1.00 0.00 C ATOM 1438 O GLN A 103 -2.767 8.607 8.850 1.00 0.00 O ATOM 1439 CB GLN A 103 0.437 10.213 9.002 1.00 0.00 C ATOM 1440 CG GLN A 103 1.562 10.248 10.028 1.00 0.00 C ATOM 1441 CD GLN A 103 2.452 11.468 9.904 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.654 11.947 8.686 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 2.969 11.973 10.903 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.792 9.904 7.378 1.00 0.00 O ATOM 0 H GLN A 103 0.259 7.812 7.494 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.625 8.751 10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.866 10.280 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.195 11.091 9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.132 10.222 11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.171 9.351 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.790 11.576 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.575 12.787 10.807 1.00 0.00 H new