USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -4.25! C(o=-3.6!,f=-10!) USER MOD Set 1.2: A 60 TYR OH : rot -34:sc= 0.64 USER MOD Set 2.1: A 8 TYR OH : rot 0:sc= -0.972! USER MOD Set 2.2: A 40 TYR OH : rot 47:sc= 0.292 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00177) USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= -0.0686 USER MOD Set 4.1: A 18 SER OG : rot -46:sc= 0 USER MOD Set 4.2: A 36 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.34) USER MOD Set 5.1: A 6 TYR OH : rot 0:sc= -0.119 USER MOD Set 5.2: A 14 GLN : amide:sc= -4.63! C(o=-4.7!,f=-2.2!) USER MOD Set 5.3: A 37 TYR OH : rot 22:sc= 0.0273 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.159 USER MOD Single : A 7 SER OG : rot -160:sc= -0.945 USER MOD Single : A 10 GLN : amide:sc= -12.5! C(o=-13!,f=-16!) USER MOD Single : A 17 SER OG : rot 60:sc= -3.43! USER MOD Single : A 20 GLN : amide:sc= -0.483 K(o=-0.48,f=-4!) USER MOD Single : A 23 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.4) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -99:sc= -0.458 USER MOD Single : A 32 HIS : no HE2:sc= -8.68! C(o=-8.7!,f=-6.7!) USER MOD Single : A 34 THR OG1 : rot -85:sc= -1.13! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.6! C(o=-7.6!,f=-5.7!) USER MOD Single : A 49 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -8.93! C(o=-8.9!,f=-8!) USER MOD Single : A 54 ASN : amide:sc= -6.75! C(o=-6.8!,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 128:sc= -0.114 (180deg=-0.657) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.12 K(o=-1.1,f=-7.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.225 8.568 -12.955 1.00 0.00 N ATOM 2 CA GLU A 1 16.503 7.592 -11.863 1.00 0.00 C ATOM 3 C GLU A 1 16.497 8.318 -10.514 1.00 0.00 C ATOM 4 O GLU A 1 17.476 8.921 -10.121 1.00 0.00 O ATOM 5 CB GLU A 1 17.875 6.952 -12.090 1.00 0.00 C ATOM 6 CG GLU A 1 17.861 5.517 -11.561 1.00 0.00 C ATOM 7 CD GLU A 1 19.297 5.025 -11.378 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.205 5.778 -11.691 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.466 3.904 -10.929 1.00 0.00 O ATOM 0 H1 GLU A 1 16.229 8.075 -13.871 1.00 0.00 H new ATOM 0 H2 GLU A 1 15.294 9.005 -12.801 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.958 9.306 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 1 15.735 6.819 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.119 6.957 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.647 7.531 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.327 5.474 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 1 17.329 4.867 -12.256 1.00 0.00 H new ATOM 18 N SER A 2 15.403 8.267 -9.800 1.00 0.00 N ATOM 19 CA SER A 2 15.344 8.956 -8.480 1.00 0.00 C ATOM 20 C SER A 2 14.711 8.025 -7.440 1.00 0.00 C ATOM 21 O SER A 2 14.885 6.823 -7.483 1.00 0.00 O ATOM 22 CB SER A 2 14.507 10.229 -8.608 1.00 0.00 C ATOM 23 OG SER A 2 14.812 11.102 -7.527 1.00 0.00 O ATOM 0 H SER A 2 14.550 7.779 -10.074 1.00 0.00 H new ATOM 0 HA SER A 2 16.353 9.216 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.715 10.721 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.445 9.982 -8.603 1.00 0.00 H new ATOM 0 HG SER A 2 14.278 11.920 -7.607 1.00 0.00 H new ATOM 29 N LYS A 3 13.987 8.571 -6.500 1.00 0.00 N ATOM 30 CA LYS A 3 13.356 7.720 -5.454 1.00 0.00 C ATOM 31 C LYS A 3 12.088 7.051 -5.993 1.00 0.00 C ATOM 32 O LYS A 3 11.954 5.850 -5.914 1.00 0.00 O ATOM 33 CB LYS A 3 13.011 8.569 -4.231 1.00 0.00 C ATOM 34 CG LYS A 3 13.986 8.252 -3.097 1.00 0.00 C ATOM 35 CD LYS A 3 14.942 9.429 -2.899 1.00 0.00 C ATOM 36 CE LYS A 3 15.761 9.213 -1.624 1.00 0.00 C ATOM 37 NZ LYS A 3 16.799 8.171 -1.870 1.00 0.00 N ATOM 0 H LYS A 3 13.806 9.571 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 3 14.065 6.943 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.063 9.628 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.988 8.367 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.437 8.057 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.549 7.348 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.606 9.521 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.380 10.360 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.233 10.147 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.108 8.905 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.366 8.036 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.337 7.274 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.418 8.475 -2.649 1.00 0.00 H new ATOM 51 N PRO A 4 11.199 7.853 -6.514 1.00 0.00 N ATOM 52 CA PRO A 4 9.917 7.379 -7.072 1.00 0.00 C ATOM 53 C PRO A 4 10.123 6.790 -8.474 1.00 0.00 C ATOM 54 O PRO A 4 10.381 7.515 -9.414 1.00 0.00 O ATOM 55 CB PRO A 4 9.069 8.653 -7.140 1.00 0.00 C ATOM 56 CG PRO A 4 10.064 9.839 -7.165 1.00 0.00 C ATOM 57 CD PRO A 4 11.394 9.308 -6.595 1.00 0.00 C ATOM 0 HA PRO A 4 9.456 6.590 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.441 8.654 -8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.403 8.723 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.198 10.211 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.691 10.671 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.234 9.561 -7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.606 9.736 -5.615 1.00 0.00 H new ATOM 65 N PRO A 5 10.004 5.488 -8.574 1.00 0.00 N ATOM 66 CA PRO A 5 10.175 4.773 -9.849 1.00 0.00 C ATOM 67 C PRO A 5 8.869 4.805 -10.646 1.00 0.00 C ATOM 68 O PRO A 5 8.746 5.500 -11.634 1.00 0.00 O ATOM 69 CB PRO A 5 10.492 3.343 -9.413 1.00 0.00 C ATOM 70 CG PRO A 5 9.913 3.184 -7.985 1.00 0.00 C ATOM 71 CD PRO A 5 9.696 4.605 -7.432 1.00 0.00 C ATOM 0 HA PRO A 5 10.945 5.207 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.045 2.620 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.567 3.164 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.974 2.631 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.599 2.623 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.672 4.745 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.351 4.807 -6.584 1.00 0.00 H new ATOM 79 N TYR A 6 7.893 4.052 -10.214 1.00 0.00 N ATOM 80 CA TYR A 6 6.590 4.028 -10.932 1.00 0.00 C ATOM 81 C TYR A 6 5.650 5.057 -10.310 1.00 0.00 C ATOM 82 O TYR A 6 5.588 5.209 -9.106 1.00 0.00 O ATOM 83 CB TYR A 6 5.967 2.634 -10.822 1.00 0.00 C ATOM 84 CG TYR A 6 6.806 1.635 -11.580 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.438 2.006 -12.771 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.952 0.334 -11.086 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.217 1.076 -13.469 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.729 -0.596 -11.784 1.00 0.00 C ATOM 89 CZ TYR A 6 8.363 -0.225 -12.976 1.00 0.00 C ATOM 90 OH TYR A 6 9.131 -1.142 -13.664 1.00 0.00 O ATOM 0 H TYR A 6 7.944 3.451 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 6 6.751 4.269 -11.983 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.894 2.340 -9.775 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.953 2.647 -11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.325 3.010 -13.152 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.465 0.048 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.706 1.363 -14.388 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.840 -1.601 -11.403 1.00 0.00 H new ATOM 0 HH TYR A 6 9.498 -0.722 -14.470 1.00 0.00 H new ATOM 100 N SER A 7 4.912 5.762 -11.119 1.00 0.00 N ATOM 101 CA SER A 7 3.972 6.773 -10.570 1.00 0.00 C ATOM 102 C SER A 7 3.115 6.111 -9.495 1.00 0.00 C ATOM 103 O SER A 7 2.774 4.950 -9.596 1.00 0.00 O ATOM 104 CB SER A 7 3.073 7.299 -11.689 1.00 0.00 C ATOM 105 OG SER A 7 3.813 8.198 -12.504 1.00 0.00 O ATOM 0 H SER A 7 4.920 5.681 -12.136 1.00 0.00 H new ATOM 0 HA SER A 7 4.530 7.605 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.698 6.470 -12.290 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.205 7.804 -11.266 1.00 0.00 H new ATOM 0 HG SER A 7 3.195 8.768 -13.007 1.00 0.00 H new ATOM 111 N TYR A 8 2.758 6.830 -8.468 1.00 0.00 N ATOM 112 CA TYR A 8 1.919 6.218 -7.403 1.00 0.00 C ATOM 113 C TYR A 8 0.516 5.968 -7.962 1.00 0.00 C ATOM 114 O TYR A 8 -0.470 6.510 -7.504 1.00 0.00 O ATOM 115 CB TYR A 8 1.866 7.152 -6.197 1.00 0.00 C ATOM 116 CG TYR A 8 3.276 7.385 -5.703 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.207 6.335 -5.719 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.657 8.648 -5.237 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.515 6.553 -5.268 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.965 8.864 -4.788 1.00 0.00 C ATOM 121 CZ TYR A 8 5.894 7.817 -4.803 1.00 0.00 C ATOM 122 OH TYR A 8 7.184 8.033 -4.363 1.00 0.00 O ATOM 0 H TYR A 8 3.009 7.808 -8.321 1.00 0.00 H new ATOM 0 HA TYR A 8 2.347 5.268 -7.082 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.401 8.098 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.256 6.715 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.915 5.359 -6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.941 9.457 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.231 5.745 -5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.258 9.840 -4.430 1.00 0.00 H new ATOM 0 HH TYR A 8 7.701 7.204 -4.445 1.00 0.00 H new ATOM 132 N ALA A 9 0.448 5.134 -8.958 1.00 0.00 N ATOM 133 CA ALA A 9 -0.841 4.783 -9.613 1.00 0.00 C ATOM 134 C ALA A 9 -0.554 3.594 -10.524 1.00 0.00 C ATOM 135 O ALA A 9 -1.286 2.625 -10.568 1.00 0.00 O ATOM 136 CB ALA A 9 -1.348 5.965 -10.440 1.00 0.00 C ATOM 0 H ALA A 9 1.260 4.665 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.606 4.540 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.292 5.698 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.500 6.826 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.614 6.215 -11.206 1.00 0.00 H new ATOM 142 N GLN A 10 0.556 3.653 -11.209 1.00 0.00 N ATOM 143 CA GLN A 10 0.978 2.526 -12.081 1.00 0.00 C ATOM 144 C GLN A 10 1.826 1.610 -11.208 1.00 0.00 C ATOM 145 O GLN A 10 1.896 0.413 -11.408 1.00 0.00 O ATOM 146 CB GLN A 10 1.811 3.054 -13.252 1.00 0.00 C ATOM 147 CG GLN A 10 2.149 1.902 -14.197 1.00 0.00 C ATOM 148 CD GLN A 10 3.606 1.482 -13.993 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.183 1.732 -12.953 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.229 0.849 -14.949 1.00 0.00 N ATOM 0 H GLN A 10 1.196 4.447 -11.199 1.00 0.00 H new ATOM 0 HA GLN A 10 0.119 1.998 -12.496 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.258 3.827 -13.786 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.727 3.516 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.487 1.057 -14.008 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.989 2.208 -15.231 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.745 0.639 -15.822 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.200 0.564 -14.823 1.00 0.00 H new ATOM 159 N LEU A 11 2.440 2.183 -10.204 1.00 0.00 N ATOM 160 CA LEU A 11 3.257 1.386 -9.259 1.00 0.00 C ATOM 161 C LEU A 11 2.315 0.420 -8.554 1.00 0.00 C ATOM 162 O LEU A 11 2.640 -0.719 -8.286 1.00 0.00 O ATOM 163 CB LEU A 11 3.875 2.338 -8.234 1.00 0.00 C ATOM 164 CG LEU A 11 4.589 1.544 -7.147 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.058 1.391 -7.517 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.479 2.297 -5.823 1.00 0.00 C ATOM 0 H LEU A 11 2.405 3.182 -10.002 1.00 0.00 H new ATOM 0 HA LEU A 11 4.050 0.842 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.579 3.009 -8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.098 2.961 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 11 4.132 0.559 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.571 0.823 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.141 0.864 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.515 2.376 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.988 1.734 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.942 3.279 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.428 2.417 -5.559 1.00 0.00 H new ATOM 178 N ILE A 12 1.133 0.889 -8.275 1.00 0.00 N ATOM 179 CA ILE A 12 0.112 0.040 -7.604 1.00 0.00 C ATOM 180 C ILE A 12 -0.318 -1.080 -8.553 1.00 0.00 C ATOM 181 O ILE A 12 -0.334 -2.241 -8.194 1.00 0.00 O ATOM 182 CB ILE A 12 -1.108 0.890 -7.272 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.696 2.295 -6.810 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.920 0.204 -6.180 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.434 2.213 -5.788 1.00 0.00 C ATOM 0 H ILE A 12 0.827 1.839 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 12 0.534 -0.383 -6.693 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.712 0.995 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.376 2.887 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.553 2.806 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.794 0.810 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.244 -0.777 -6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.304 0.087 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.713 3.218 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.101 1.640 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.297 1.722 -6.238 1.00 0.00 H new ATOM 197 N VAL A 13 -0.672 -0.738 -9.763 1.00 0.00 N ATOM 198 CA VAL A 13 -1.107 -1.782 -10.732 1.00 0.00 C ATOM 199 C VAL A 13 -0.054 -2.883 -10.773 1.00 0.00 C ATOM 200 O VAL A 13 -0.352 -4.041 -10.572 1.00 0.00 O ATOM 201 CB VAL A 13 -1.255 -1.162 -12.121 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.749 -2.223 -13.106 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.267 -0.019 -12.053 1.00 0.00 C ATOM 0 H VAL A 13 -0.678 0.217 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.066 -2.198 -10.423 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.291 -0.781 -12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.854 -1.779 -14.096 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.031 -3.042 -13.150 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.715 -2.605 -12.775 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.378 0.428 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.230 -0.405 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.916 0.736 -11.350 1.00 0.00 H new ATOM 213 N GLN A 14 1.178 -2.537 -11.008 1.00 0.00 N ATOM 214 CA GLN A 14 2.234 -3.583 -11.028 1.00 0.00 C ATOM 215 C GLN A 14 2.228 -4.283 -9.670 1.00 0.00 C ATOM 216 O GLN A 14 2.534 -5.453 -9.556 1.00 0.00 O ATOM 217 CB GLN A 14 3.599 -2.935 -11.266 1.00 0.00 C ATOM 218 CG GLN A 14 4.704 -3.946 -10.951 1.00 0.00 C ATOM 219 CD GLN A 14 5.878 -3.741 -11.908 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.677 -4.637 -12.108 1.00 0.00 O ATOM 221 NE2 GLN A 14 6.020 -2.594 -12.512 1.00 0.00 N ATOM 0 H GLN A 14 1.498 -1.585 -11.186 1.00 0.00 H new ATOM 0 HA GLN A 14 2.043 -4.299 -11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.680 -2.602 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.709 -2.052 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.037 -3.826 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.319 -4.961 -11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.350 -1.843 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.801 -2.448 -13.152 1.00 0.00 H new ATOM 230 N ALA A 15 1.875 -3.563 -8.639 1.00 0.00 N ATOM 231 CA ALA A 15 1.836 -4.161 -7.278 1.00 0.00 C ATOM 232 C ALA A 15 0.679 -5.158 -7.178 1.00 0.00 C ATOM 233 O ALA A 15 0.846 -6.275 -6.730 1.00 0.00 O ATOM 234 CB ALA A 15 1.630 -3.049 -6.249 1.00 0.00 C ATOM 0 H ALA A 15 1.610 -2.579 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 15 2.775 -4.680 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.600 -3.480 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.453 -2.337 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.690 -2.536 -6.451 1.00 0.00 H new ATOM 240 N ILE A 16 -0.499 -4.761 -7.584 1.00 0.00 N ATOM 241 CA ILE A 16 -1.666 -5.695 -7.495 1.00 0.00 C ATOM 242 C ILE A 16 -1.721 -6.583 -8.739 1.00 0.00 C ATOM 243 O ILE A 16 -2.374 -7.608 -8.751 1.00 0.00 O ATOM 244 CB ILE A 16 -2.993 -4.925 -7.362 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.773 -3.408 -7.456 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.615 -5.250 -6.006 1.00 0.00 C ATOM 247 CD1 ILE A 16 -4.016 -2.674 -6.950 1.00 0.00 C ATOM 0 H ILE A 16 -0.705 -3.840 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.532 -6.310 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.651 -5.228 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.903 -3.120 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.566 -3.124 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.556 -4.711 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.801 -6.322 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.932 -4.950 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.856 -1.598 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.876 -2.952 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.203 -2.948 -5.912 1.00 0.00 H new ATOM 259 N SER A 17 -1.047 -6.204 -9.787 1.00 0.00 N ATOM 260 CA SER A 17 -1.070 -7.032 -11.025 1.00 0.00 C ATOM 261 C SER A 17 -0.375 -8.367 -10.757 1.00 0.00 C ATOM 262 O SER A 17 -0.555 -9.328 -11.478 1.00 0.00 O ATOM 263 CB SER A 17 -0.342 -6.293 -12.148 1.00 0.00 C ATOM 264 OG SER A 17 -1.182 -5.267 -12.659 1.00 0.00 O ATOM 0 H SER A 17 -0.481 -5.357 -9.841 1.00 0.00 H new ATOM 0 HA SER A 17 -2.103 -7.213 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.588 -5.864 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.075 -6.989 -12.943 1.00 0.00 H new ATOM 0 HG SER A 17 -1.407 -4.640 -11.940 1.00 0.00 H new ATOM 270 N SER A 18 0.422 -8.435 -9.726 1.00 0.00 N ATOM 271 CA SER A 18 1.129 -9.709 -9.417 1.00 0.00 C ATOM 272 C SER A 18 0.499 -10.362 -8.183 1.00 0.00 C ATOM 273 O SER A 18 0.777 -11.500 -7.863 1.00 0.00 O ATOM 274 CB SER A 18 2.605 -9.417 -9.141 1.00 0.00 C ATOM 275 OG SER A 18 3.391 -10.513 -9.590 1.00 0.00 O ATOM 0 H SER A 18 0.614 -7.665 -9.086 1.00 0.00 H new ATOM 0 HA SER A 18 1.043 -10.386 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.909 -8.503 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.762 -9.254 -8.075 1.00 0.00 H new ATOM 0 HG SER A 18 2.986 -11.352 -9.286 1.00 0.00 H new ATOM 281 N ALA A 19 -0.349 -9.653 -7.487 1.00 0.00 N ATOM 282 CA ALA A 19 -0.992 -10.239 -6.275 1.00 0.00 C ATOM 283 C ALA A 19 -1.784 -11.486 -6.671 1.00 0.00 C ATOM 284 O ALA A 19 -1.912 -11.805 -7.837 1.00 0.00 O ATOM 285 CB ALA A 19 -1.939 -9.210 -5.654 1.00 0.00 C ATOM 0 H ALA A 19 -0.624 -8.695 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.224 -10.511 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.410 -9.637 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.376 -8.320 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.707 -8.939 -6.378 1.00 0.00 H new ATOM 291 N GLN A 20 -2.317 -12.196 -5.712 1.00 0.00 N ATOM 292 CA GLN A 20 -3.099 -13.422 -6.042 1.00 0.00 C ATOM 293 C GLN A 20 -4.022 -13.131 -7.228 1.00 0.00 C ATOM 294 O GLN A 20 -3.642 -13.286 -8.372 1.00 0.00 O ATOM 295 CB GLN A 20 -3.934 -13.858 -4.829 1.00 0.00 C ATOM 296 CG GLN A 20 -4.380 -12.635 -4.017 1.00 0.00 C ATOM 297 CD GLN A 20 -3.783 -12.713 -2.610 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.082 -13.651 -2.287 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.036 -11.762 -1.754 1.00 0.00 N ATOM 0 H GLN A 20 -2.245 -11.980 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.412 -14.227 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.807 -14.418 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.348 -14.527 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.056 -11.719 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.468 -12.599 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.625 -10.975 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.645 -11.806 -0.813 1.00 0.00 H new ATOM 308 N ASP A 21 -5.228 -12.706 -6.971 1.00 0.00 N ATOM 309 CA ASP A 21 -6.164 -12.402 -8.090 1.00 0.00 C ATOM 310 C ASP A 21 -5.866 -11.004 -8.635 1.00 0.00 C ATOM 311 O ASP A 21 -5.503 -10.837 -9.783 1.00 0.00 O ATOM 312 CB ASP A 21 -7.605 -12.454 -7.580 1.00 0.00 C ATOM 313 CG ASP A 21 -8.141 -13.881 -7.710 1.00 0.00 C ATOM 314 OD1 ASP A 21 -8.366 -14.308 -8.829 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.315 -14.523 -6.687 1.00 0.00 O ATOM 0 H ASP A 21 -5.606 -12.556 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.034 -13.138 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.646 -12.132 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.229 -11.766 -8.151 1.00 0.00 H new ATOM 320 N ARG A 22 -6.016 -10.000 -7.819 1.00 0.00 N ATOM 321 CA ARG A 22 -5.743 -8.611 -8.283 1.00 0.00 C ATOM 322 C ARG A 22 -6.003 -7.638 -7.132 1.00 0.00 C ATOM 323 O ARG A 22 -6.527 -6.559 -7.325 1.00 0.00 O ATOM 324 CB ARG A 22 -6.663 -8.271 -9.457 1.00 0.00 C ATOM 325 CG ARG A 22 -8.121 -8.493 -9.047 1.00 0.00 C ATOM 326 CD ARG A 22 -9.030 -8.262 -10.254 1.00 0.00 C ATOM 327 NE ARG A 22 -10.423 -8.667 -9.910 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.903 -9.798 -10.351 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.878 -10.063 -11.628 1.00 0.00 N ATOM 330 NH2 ARG A 22 -11.411 -10.660 -9.513 1.00 0.00 N ATOM 0 H ARG A 22 -6.317 -10.081 -6.848 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.705 -8.531 -8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.514 -7.235 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.417 -8.894 -10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.253 -9.506 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.391 -7.812 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.006 -7.212 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.673 -8.838 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.002 -8.060 -9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.483 -9.387 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.253 -10.947 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.433 -10.449 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.787 -11.544 -9.856 1.00 0.00 H new ATOM 344 N GLN A 23 -5.646 -8.015 -5.935 1.00 0.00 N ATOM 345 CA GLN A 23 -5.878 -7.114 -4.772 1.00 0.00 C ATOM 346 C GLN A 23 -4.622 -7.064 -3.901 1.00 0.00 C ATOM 347 O GLN A 23 -3.829 -7.984 -3.887 1.00 0.00 O ATOM 348 CB GLN A 23 -7.046 -7.649 -3.942 1.00 0.00 C ATOM 349 CG GLN A 23 -6.632 -8.955 -3.264 1.00 0.00 C ATOM 350 CD GLN A 23 -7.532 -10.091 -3.752 1.00 0.00 C ATOM 351 OE1 GLN A 23 -7.108 -10.933 -4.517 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.768 -10.149 -3.338 1.00 0.00 N ATOM 0 H GLN A 23 -5.204 -8.907 -5.713 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.110 -6.112 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.340 -6.915 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.913 -7.817 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.590 -9.180 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.709 -8.855 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.124 -9.442 -2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.378 -10.902 -3.657 1.00 0.00 H new ATOM 361 N LEU A 24 -4.441 -5.999 -3.171 1.00 0.00 N ATOM 362 CA LEU A 24 -3.245 -5.888 -2.296 1.00 0.00 C ATOM 363 C LEU A 24 -3.646 -5.255 -0.969 1.00 0.00 C ATOM 364 O LEU A 24 -4.472 -4.366 -0.920 1.00 0.00 O ATOM 365 CB LEU A 24 -2.198 -4.991 -2.958 1.00 0.00 C ATOM 366 CG LEU A 24 -1.258 -5.833 -3.818 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.244 -4.916 -4.503 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.517 -6.836 -2.931 1.00 0.00 C ATOM 0 H LEU A 24 -5.073 -5.199 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.833 -6.884 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.689 -4.237 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.629 -4.459 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.834 -6.370 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.429 -5.513 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.770 -4.198 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.332 -4.382 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.154 -7.437 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.062 -6.299 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.238 -7.487 -2.437 1.00 0.00 H new ATOM 380 N THR A 25 -3.048 -5.678 0.105 1.00 0.00 N ATOM 381 CA THR A 25 -3.380 -5.062 1.412 1.00 0.00 C ATOM 382 C THR A 25 -2.625 -3.739 1.494 1.00 0.00 C ATOM 383 O THR A 25 -1.685 -3.516 0.757 1.00 0.00 O ATOM 384 CB THR A 25 -2.939 -5.985 2.550 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.763 -6.680 2.163 1.00 0.00 O ATOM 386 CG2 THR A 25 -4.052 -6.988 2.852 1.00 0.00 C ATOM 0 H THR A 25 -2.348 -6.419 0.134 1.00 0.00 H new ATOM 0 HA THR A 25 -4.454 -4.900 1.502 1.00 0.00 H new ATOM 0 HB THR A 25 -2.734 -5.394 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.478 -7.271 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.739 -7.646 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.954 -6.452 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.258 -7.582 1.962 1.00 0.00 H new ATOM 394 N LEU A 26 -3.016 -2.852 2.359 1.00 0.00 N ATOM 395 CA LEU A 26 -2.285 -1.556 2.426 1.00 0.00 C ATOM 396 C LEU A 26 -0.787 -1.848 2.509 1.00 0.00 C ATOM 397 O LEU A 26 0.025 -1.138 1.951 1.00 0.00 O ATOM 398 CB LEU A 26 -2.721 -0.741 3.650 1.00 0.00 C ATOM 399 CG LEU A 26 -3.187 0.641 3.190 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.987 1.311 4.309 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.967 1.503 2.854 1.00 0.00 C ATOM 0 H LEU A 26 -3.793 -2.960 3.011 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.511 -0.971 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.526 -1.254 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.893 -0.644 4.352 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.816 0.535 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.318 2.296 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.855 0.699 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.358 1.417 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.297 2.489 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.340 1.607 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.394 1.028 2.057 1.00 0.00 H new ATOM 413 N SER A 27 -0.414 -2.897 3.188 1.00 0.00 N ATOM 414 CA SER A 27 1.031 -3.242 3.292 1.00 0.00 C ATOM 415 C SER A 27 1.375 -4.345 2.289 1.00 0.00 C ATOM 416 O SER A 27 2.270 -5.135 2.510 1.00 0.00 O ATOM 417 CB SER A 27 1.335 -3.741 4.702 1.00 0.00 C ATOM 418 OG SER A 27 1.923 -2.692 5.459 1.00 0.00 O ATOM 0 H SER A 27 -1.048 -3.530 3.675 1.00 0.00 H new ATOM 0 HA SER A 27 1.625 -2.354 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.419 -4.082 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.010 -4.596 4.659 1.00 0.00 H new ATOM 0 HG SER A 27 2.117 -3.011 6.365 1.00 0.00 H new ATOM 424 N GLY A 28 0.685 -4.406 1.183 1.00 0.00 N ATOM 425 CA GLY A 28 0.998 -5.460 0.176 1.00 0.00 C ATOM 426 C GLY A 28 1.831 -4.827 -0.927 1.00 0.00 C ATOM 427 O GLY A 28 2.836 -5.353 -1.362 1.00 0.00 O ATOM 0 H GLY A 28 -0.077 -3.776 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.543 -6.281 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.079 -5.880 -0.234 1.00 0.00 H new ATOM 431 N ILE A 29 1.399 -3.689 -1.368 1.00 0.00 N ATOM 432 CA ILE A 29 2.112 -2.958 -2.436 1.00 0.00 C ATOM 433 C ILE A 29 3.521 -2.615 -1.986 1.00 0.00 C ATOM 434 O ILE A 29 4.459 -2.615 -2.757 1.00 0.00 O ATOM 435 CB ILE A 29 1.357 -1.675 -2.681 1.00 0.00 C ATOM 436 CG1 ILE A 29 2.070 -0.867 -3.751 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.296 -0.863 -1.388 1.00 0.00 C ATOM 438 CD1 ILE A 29 1.437 0.506 -3.813 1.00 0.00 C ATOM 0 H ILE A 29 0.559 -3.223 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 29 2.170 -3.569 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 29 0.345 -1.907 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.132 -0.785 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.992 -1.365 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.750 0.064 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.786 -1.442 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.308 -0.630 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.936 1.103 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.380 0.409 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.538 0.997 -2.845 1.00 0.00 H new ATOM 450 N TYR A 30 3.661 -2.305 -0.741 1.00 0.00 N ATOM 451 CA TYR A 30 4.993 -1.932 -0.209 1.00 0.00 C ATOM 452 C TYR A 30 5.916 -3.141 -0.261 1.00 0.00 C ATOM 453 O TYR A 30 7.050 -3.050 -0.685 1.00 0.00 O ATOM 454 CB TYR A 30 4.817 -1.437 1.218 1.00 0.00 C ATOM 455 CG TYR A 30 3.766 -0.356 1.186 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.749 0.558 0.127 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.792 -0.287 2.184 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.758 1.542 0.064 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.802 0.701 2.125 1.00 0.00 C ATOM 460 CZ TYR A 30 1.783 1.614 1.064 1.00 0.00 C ATOM 461 OH TYR A 30 0.803 2.583 1.004 1.00 0.00 O ATOM 0 H TYR A 30 2.904 -2.293 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 30 5.442 -1.140 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.511 -2.252 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.757 -1.049 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.503 0.503 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.802 -0.995 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.745 2.245 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.052 0.759 2.899 1.00 0.00 H new ATOM 0 HH TYR A 30 1.047 3.331 1.588 1.00 0.00 H new ATOM 471 N ALA A 31 5.433 -4.277 0.139 1.00 0.00 N ATOM 472 CA ALA A 31 6.276 -5.498 0.082 1.00 0.00 C ATOM 473 C ALA A 31 6.422 -5.937 -1.380 1.00 0.00 C ATOM 474 O ALA A 31 7.239 -6.774 -1.708 1.00 0.00 O ATOM 475 CB ALA A 31 5.615 -6.615 0.892 1.00 0.00 C ATOM 0 H ALA A 31 4.490 -4.415 0.504 1.00 0.00 H new ATOM 0 HA ALA A 31 7.260 -5.287 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.235 -7.511 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.507 -6.297 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.632 -6.834 0.475 1.00 0.00 H new ATOM 481 N HIS A 32 5.627 -5.382 -2.263 1.00 0.00 N ATOM 482 CA HIS A 32 5.713 -5.774 -3.699 1.00 0.00 C ATOM 483 C HIS A 32 6.926 -5.109 -4.365 1.00 0.00 C ATOM 484 O HIS A 32 7.912 -5.755 -4.663 1.00 0.00 O ATOM 485 CB HIS A 32 4.434 -5.336 -4.416 1.00 0.00 C ATOM 486 CG HIS A 32 4.564 -5.621 -5.888 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.848 -6.631 -6.509 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.326 -5.040 -6.872 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.190 -6.629 -7.811 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.088 -5.679 -8.085 1.00 0.00 N ATOM 0 H HIS A 32 4.924 -4.675 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 32 5.827 -6.856 -3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.574 -5.866 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.259 -4.272 -4.254 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.183 -7.261 -6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.006 -4.214 -6.727 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.787 -7.312 -8.544 1.00 0.00 H new ATOM 498 N ILE A 33 6.858 -3.826 -4.610 1.00 0.00 N ATOM 499 CA ILE A 33 8.004 -3.128 -5.268 1.00 0.00 C ATOM 500 C ILE A 33 9.288 -3.386 -4.484 1.00 0.00 C ATOM 501 O ILE A 33 10.350 -3.542 -5.049 1.00 0.00 O ATOM 502 CB ILE A 33 7.732 -1.628 -5.306 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.371 -1.142 -3.905 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.571 -1.342 -6.260 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.616 -0.565 -3.225 1.00 0.00 C ATOM 0 H ILE A 33 6.060 -3.232 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 33 8.118 -3.508 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 33 8.623 -1.106 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.591 -0.383 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.971 -1.967 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.377 -0.270 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.828 -1.689 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.679 -1.863 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.357 -0.218 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.383 -1.337 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.996 0.271 -3.812 1.00 0.00 H new ATOM 517 N THR A 34 9.210 -3.434 -3.186 1.00 0.00 N ATOM 518 CA THR A 34 10.440 -3.689 -2.389 1.00 0.00 C ATOM 519 C THR A 34 11.035 -5.031 -2.818 1.00 0.00 C ATOM 520 O THR A 34 12.222 -5.262 -2.705 1.00 0.00 O ATOM 521 CB THR A 34 10.089 -3.737 -0.901 1.00 0.00 C ATOM 522 OG1 THR A 34 8.885 -4.471 -0.725 1.00 0.00 O ATOM 523 CG2 THR A 34 9.908 -2.315 -0.370 1.00 0.00 C ATOM 0 H THR A 34 8.355 -3.309 -2.645 1.00 0.00 H new ATOM 0 HA THR A 34 11.162 -2.891 -2.559 1.00 0.00 H new ATOM 0 HB THR A 34 10.895 -4.224 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.117 -3.876 -0.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.658 -2.352 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.834 -1.755 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.103 -1.823 -0.916 1.00 0.00 H new ATOM 531 N LYS A 35 10.213 -5.916 -3.313 1.00 0.00 N ATOM 532 CA LYS A 35 10.718 -7.246 -3.757 1.00 0.00 C ATOM 533 C LYS A 35 11.203 -7.159 -5.207 1.00 0.00 C ATOM 534 O LYS A 35 12.347 -7.434 -5.508 1.00 0.00 O ATOM 535 CB LYS A 35 9.589 -8.273 -3.660 1.00 0.00 C ATOM 536 CG LYS A 35 10.151 -9.606 -3.162 1.00 0.00 C ATOM 537 CD LYS A 35 9.768 -9.804 -1.694 1.00 0.00 C ATOM 538 CE LYS A 35 10.840 -10.642 -0.994 1.00 0.00 C ATOM 539 NZ LYS A 35 10.815 -10.358 0.469 1.00 0.00 N ATOM 0 H LYS A 35 9.210 -5.774 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 35 11.548 -7.549 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.816 -7.916 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.120 -8.406 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.760 -10.426 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.235 -9.619 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.667 -8.838 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.800 -10.300 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.662 -11.702 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.823 -10.410 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.543 -10.927 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.004 -9.348 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.880 -10.600 0.854 1.00 0.00 H new ATOM 553 N HIS A 36 10.337 -6.784 -6.113 1.00 0.00 N ATOM 554 CA HIS A 36 10.745 -6.685 -7.544 1.00 0.00 C ATOM 555 C HIS A 36 11.600 -5.434 -7.755 1.00 0.00 C ATOM 556 O HIS A 36 12.557 -5.445 -8.505 1.00 0.00 O ATOM 557 CB HIS A 36 9.495 -6.597 -8.423 1.00 0.00 C ATOM 558 CG HIS A 36 8.648 -7.822 -8.215 1.00 0.00 C ATOM 559 ND1 HIS A 36 7.560 -8.112 -9.022 1.00 0.00 N ATOM 560 CD2 HIS A 36 8.718 -8.841 -7.297 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.023 -9.264 -8.579 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.691 -9.751 -7.530 1.00 0.00 N ATOM 0 H HIS A 36 9.365 -6.542 -5.922 1.00 0.00 H new ATOM 0 HA HIS A 36 11.325 -7.568 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.925 -5.702 -8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.780 -6.513 -9.472 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.457 -8.924 -6.514 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.157 -9.737 -9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.491 -10.606 -7.011 1.00 0.00 H new ATOM 570 N TYR A 37 11.264 -4.358 -7.103 1.00 0.00 N ATOM 571 CA TYR A 37 12.059 -3.108 -7.268 1.00 0.00 C ATOM 572 C TYR A 37 13.133 -3.043 -6.171 1.00 0.00 C ATOM 573 O TYR A 37 12.815 -2.887 -5.010 1.00 0.00 O ATOM 574 CB TYR A 37 11.135 -1.890 -7.157 1.00 0.00 C ATOM 575 CG TYR A 37 11.179 -1.116 -8.449 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.478 -1.587 -9.562 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.922 0.066 -8.536 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.517 -0.879 -10.767 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.961 0.777 -9.741 1.00 0.00 C ATOM 580 CZ TYR A 37 11.258 0.305 -10.858 1.00 0.00 C ATOM 581 OH TYR A 37 11.298 1.008 -12.046 1.00 0.00 O ATOM 0 H TYR A 37 10.473 -4.288 -6.462 1.00 0.00 H new ATOM 0 HA TYR A 37 12.537 -3.106 -8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.115 -2.210 -6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.448 -1.255 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.905 -2.500 -9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.464 0.429 -7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.976 -1.245 -11.627 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.533 1.690 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 37 10.520 0.771 -12.593 1.00 0.00 H new ATOM 591 N PRO A 38 14.376 -3.172 -6.574 1.00 0.00 N ATOM 592 CA PRO A 38 15.520 -3.142 -5.642 1.00 0.00 C ATOM 593 C PRO A 38 15.845 -1.705 -5.214 1.00 0.00 C ATOM 594 O PRO A 38 16.469 -1.481 -4.196 1.00 0.00 O ATOM 595 CB PRO A 38 16.666 -3.739 -6.462 1.00 0.00 C ATOM 596 CG PRO A 38 16.284 -3.549 -7.948 1.00 0.00 C ATOM 597 CD PRO A 38 14.757 -3.358 -7.989 1.00 0.00 C ATOM 0 HA PRO A 38 15.327 -3.689 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.607 -3.238 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.802 -4.795 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.794 -2.684 -8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.582 -4.415 -8.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.480 -2.494 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.259 -4.224 -8.425 1.00 0.00 H new ATOM 605 N TYR A 39 15.433 -0.730 -5.977 1.00 0.00 N ATOM 606 CA TYR A 39 15.731 0.682 -5.597 1.00 0.00 C ATOM 607 C TYR A 39 14.944 1.045 -4.337 1.00 0.00 C ATOM 608 O TYR A 39 15.426 1.753 -3.475 1.00 0.00 O ATOM 609 CB TYR A 39 15.330 1.626 -6.733 1.00 0.00 C ATOM 610 CG TYR A 39 15.641 3.051 -6.332 1.00 0.00 C ATOM 611 CD1 TYR A 39 14.897 3.676 -5.321 1.00 0.00 C ATOM 612 CD2 TYR A 39 16.682 3.748 -6.961 1.00 0.00 C ATOM 613 CE1 TYR A 39 15.193 4.988 -4.942 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.976 5.063 -6.583 1.00 0.00 C ATOM 615 CZ TYR A 39 16.232 5.682 -5.573 1.00 0.00 C ATOM 616 OH TYR A 39 16.522 6.977 -5.197 1.00 0.00 O ATOM 0 H TYR A 39 14.906 -0.848 -6.842 1.00 0.00 H new ATOM 0 HA TYR A 39 16.800 0.783 -5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.869 1.367 -7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.267 1.521 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.094 3.142 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 39 17.258 3.269 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.620 5.467 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.777 5.599 -7.071 1.00 0.00 H new ATOM 0 HH TYR A 39 17.271 7.313 -5.733 1.00 0.00 H new ATOM 626 N TYR A 40 13.734 0.572 -4.225 1.00 0.00 N ATOM 627 CA TYR A 40 12.916 0.896 -3.024 1.00 0.00 C ATOM 628 C TYR A 40 13.380 0.048 -1.838 1.00 0.00 C ATOM 629 O TYR A 40 12.822 0.114 -0.761 1.00 0.00 O ATOM 630 CB TYR A 40 11.443 0.605 -3.317 1.00 0.00 C ATOM 631 CG TYR A 40 10.727 1.901 -3.610 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.907 3.005 -2.768 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.887 2.001 -4.724 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.245 4.209 -3.039 1.00 0.00 C ATOM 635 CE2 TYR A 40 9.225 3.205 -4.997 1.00 0.00 C ATOM 636 CZ TYR A 40 9.405 4.308 -4.154 1.00 0.00 C ATOM 637 OH TYR A 40 8.752 5.494 -4.422 1.00 0.00 O ATOM 0 H TYR A 40 13.276 -0.025 -4.914 1.00 0.00 H new ATOM 0 HA TYR A 40 13.037 1.951 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.356 -0.072 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.982 0.106 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.557 2.928 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.749 1.150 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.383 5.060 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.576 3.282 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 40 9.385 6.239 -4.353 1.00 0.00 H new ATOM 647 N ARG A 41 14.398 -0.747 -2.023 1.00 0.00 N ATOM 648 CA ARG A 41 14.894 -1.594 -0.905 1.00 0.00 C ATOM 649 C ARG A 41 15.438 -0.700 0.213 1.00 0.00 C ATOM 650 O ARG A 41 14.806 -0.512 1.233 1.00 0.00 O ATOM 651 CB ARG A 41 16.011 -2.506 -1.417 1.00 0.00 C ATOM 652 CG ARG A 41 16.488 -3.411 -0.280 1.00 0.00 C ATOM 653 CD ARG A 41 15.815 -4.780 -0.400 1.00 0.00 C ATOM 654 NE ARG A 41 14.436 -4.705 0.160 1.00 0.00 N ATOM 655 CZ ARG A 41 14.118 -5.418 1.206 1.00 0.00 C ATOM 656 NH1 ARG A 41 15.022 -5.701 2.102 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.894 -5.846 1.356 1.00 0.00 N ATOM 0 H ARG A 41 14.907 -0.846 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 41 14.075 -2.201 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.650 -3.109 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.841 -1.908 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.572 -3.522 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.249 -2.960 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.779 -5.089 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.396 -5.531 0.135 1.00 0.00 H new ATOM 0 HE ARG A 41 13.741 -4.097 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.978 -5.365 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.773 -6.258 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.186 -5.623 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.645 -6.403 2.173 1.00 0.00 H new ATOM 671 N THR A 42 16.607 -0.150 0.028 1.00 0.00 N ATOM 672 CA THR A 42 17.195 0.730 1.080 1.00 0.00 C ATOM 673 C THR A 42 16.634 2.147 0.939 1.00 0.00 C ATOM 674 O THR A 42 17.066 3.063 1.611 1.00 0.00 O ATOM 675 CB THR A 42 18.717 0.765 0.920 1.00 0.00 C ATOM 676 OG1 THR A 42 19.040 1.039 -0.437 1.00 0.00 O ATOM 677 CG2 THR A 42 19.308 -0.586 1.324 1.00 0.00 C ATOM 0 H THR A 42 17.181 -0.272 -0.806 1.00 0.00 H new ATOM 0 HA THR A 42 16.940 0.338 2.065 1.00 0.00 H new ATOM 0 HB THR A 42 19.132 1.544 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 42 20.014 1.064 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 42 20.392 -0.558 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 42 19.059 -0.796 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.896 -1.369 0.687 1.00 0.00 H new ATOM 685 N ALA A 43 15.677 2.335 0.073 1.00 0.00 N ATOM 686 CA ALA A 43 15.093 3.695 -0.107 1.00 0.00 C ATOM 687 C ALA A 43 13.595 3.658 0.206 1.00 0.00 C ATOM 688 O ALA A 43 12.932 2.662 -0.003 1.00 0.00 O ATOM 689 CB ALA A 43 15.299 4.152 -1.553 1.00 0.00 C ATOM 0 H ALA A 43 15.274 1.607 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 43 15.587 4.392 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.872 5.146 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.365 4.182 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.806 3.453 -2.229 1.00 0.00 H new ATOM 695 N ASP A 44 13.058 4.738 0.704 1.00 0.00 N ATOM 696 CA ASP A 44 11.603 4.770 1.028 1.00 0.00 C ATOM 697 C ASP A 44 11.118 6.221 1.030 1.00 0.00 C ATOM 698 O ASP A 44 10.976 6.837 2.068 1.00 0.00 O ATOM 699 CB ASP A 44 11.370 4.153 2.411 1.00 0.00 C ATOM 700 CG ASP A 44 12.350 4.760 3.416 1.00 0.00 C ATOM 701 OD1 ASP A 44 13.531 4.477 3.308 1.00 0.00 O ATOM 702 OD2 ASP A 44 11.901 5.497 4.279 1.00 0.00 O ATOM 0 H ASP A 44 13.565 5.601 0.901 1.00 0.00 H new ATOM 0 HA ASP A 44 11.051 4.199 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.345 4.334 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.503 3.072 2.365 1.00 0.00 H new ATOM 707 N LYS A 45 10.866 6.773 -0.126 1.00 0.00 N ATOM 708 CA LYS A 45 10.392 8.184 -0.192 1.00 0.00 C ATOM 709 C LYS A 45 9.021 8.299 0.477 1.00 0.00 C ATOM 710 O LYS A 45 8.624 7.451 1.252 1.00 0.00 O ATOM 711 CB LYS A 45 10.287 8.617 -1.656 1.00 0.00 C ATOM 712 CG LYS A 45 11.288 9.742 -1.931 1.00 0.00 C ATOM 713 CD LYS A 45 10.789 11.040 -1.293 1.00 0.00 C ATOM 714 CE LYS A 45 11.753 12.178 -1.633 1.00 0.00 C ATOM 715 NZ LYS A 45 11.743 13.184 -0.533 1.00 0.00 N ATOM 0 H LYS A 45 10.968 6.307 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 45 11.100 8.829 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.487 7.770 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.274 8.956 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.266 9.479 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.412 9.877 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.789 11.275 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.716 10.922 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.760 11.786 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.461 12.648 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.398 13.958 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.782 13.566 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.041 12.731 0.354 1.00 0.00 H new ATOM 729 N GLY A 46 8.295 9.347 0.189 1.00 0.00 N ATOM 730 CA GLY A 46 6.951 9.521 0.812 1.00 0.00 C ATOM 731 C GLY A 46 5.895 8.796 -0.024 1.00 0.00 C ATOM 732 O GLY A 46 4.837 9.326 -0.301 1.00 0.00 O ATOM 0 H GLY A 46 8.575 10.090 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.957 9.127 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.707 10.581 0.883 1.00 0.00 H new ATOM 736 N TRP A 47 6.169 7.585 -0.423 1.00 0.00 N ATOM 737 CA TRP A 47 5.178 6.825 -1.235 1.00 0.00 C ATOM 738 C TRP A 47 4.433 5.841 -0.338 1.00 0.00 C ATOM 739 O TRP A 47 3.718 4.978 -0.809 1.00 0.00 O ATOM 740 CB TRP A 47 5.894 6.056 -2.348 1.00 0.00 C ATOM 741 CG TRP A 47 6.649 4.897 -1.771 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.734 4.996 -0.969 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.403 3.469 -1.944 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.172 3.729 -0.645 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.387 2.755 -1.220 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.435 2.729 -2.652 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.416 1.365 -1.200 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.462 1.328 -2.631 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.452 0.649 -1.907 1.00 0.00 C ATOM 0 H TRP A 47 7.037 7.089 -0.222 1.00 0.00 H new ATOM 0 HA TRP A 47 4.470 7.524 -1.680 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.168 5.699 -3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.579 6.719 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 47 8.185 5.919 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.979 3.537 -0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.669 3.244 -3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.180 0.844 -0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.716 0.768 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.468 -0.431 -1.897 1.00 0.00 H new ATOM 760 N GLN A 48 4.589 5.959 0.950 1.00 0.00 N ATOM 761 CA GLN A 48 3.879 5.020 1.858 1.00 0.00 C ATOM 762 C GLN A 48 2.421 5.463 1.992 1.00 0.00 C ATOM 763 O GLN A 48 1.511 4.781 1.565 1.00 0.00 O ATOM 764 CB GLN A 48 4.531 5.013 3.246 1.00 0.00 C ATOM 765 CG GLN A 48 6.008 5.398 3.145 1.00 0.00 C ATOM 766 CD GLN A 48 6.701 4.513 2.106 1.00 0.00 C ATOM 767 OE1 GLN A 48 7.741 4.867 1.589 1.00 0.00 O ATOM 768 NE2 GLN A 48 6.169 3.366 1.783 1.00 0.00 N ATOM 0 H GLN A 48 5.172 6.659 1.409 1.00 0.00 H new ATOM 0 HA GLN A 48 3.934 4.015 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.011 5.711 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.437 4.024 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.102 6.447 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.491 5.283 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.295 3.069 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.627 2.767 1.096 1.00 0.00 H new ATOM 777 N ASN A 49 2.193 6.607 2.581 1.00 0.00 N ATOM 778 CA ASN A 49 0.796 7.101 2.743 1.00 0.00 C ATOM 779 C ASN A 49 0.235 7.499 1.377 1.00 0.00 C ATOM 780 O ASN A 49 -0.932 7.310 1.095 1.00 0.00 O ATOM 781 CB ASN A 49 0.792 8.321 3.668 1.00 0.00 C ATOM 782 CG ASN A 49 -0.603 8.949 3.675 1.00 0.00 C ATOM 783 OD1 ASN A 49 -1.596 8.253 3.592 1.00 0.00 O ATOM 784 ND2 ASN A 49 -0.721 10.245 3.772 1.00 0.00 N ATOM 0 H ASN A 49 2.916 7.221 2.957 1.00 0.00 H new ATOM 0 HA ASN A 49 0.179 6.313 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.075 8.026 4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.529 9.050 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.646 10.674 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.112 10.829 3.842 1.00 0.00 H new ATOM 791 N SER A 50 1.058 8.049 0.528 1.00 0.00 N ATOM 792 CA SER A 50 0.572 8.460 -0.819 1.00 0.00 C ATOM 793 C SER A 50 -0.118 7.276 -1.498 1.00 0.00 C ATOM 794 O SER A 50 -1.191 7.406 -2.053 1.00 0.00 O ATOM 795 CB SER A 50 1.759 8.913 -1.669 1.00 0.00 C ATOM 796 OG SER A 50 1.519 10.229 -2.151 1.00 0.00 O ATOM 0 H SER A 50 2.045 8.232 0.708 1.00 0.00 H new ATOM 0 HA SER A 50 -0.138 9.281 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.674 8.892 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.904 8.228 -2.505 1.00 0.00 H new ATOM 0 HG SER A 50 2.280 10.522 -2.695 1.00 0.00 H new ATOM 802 N ILE A 51 0.489 6.122 -1.459 1.00 0.00 N ATOM 803 CA ILE A 51 -0.132 4.930 -2.102 1.00 0.00 C ATOM 804 C ILE A 51 -1.551 4.749 -1.558 1.00 0.00 C ATOM 805 O ILE A 51 -2.513 4.792 -2.296 1.00 0.00 O ATOM 806 CB ILE A 51 0.734 3.685 -1.806 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.734 3.448 -2.951 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.142 2.431 -1.661 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.111 4.767 -3.631 1.00 0.00 C ATOM 0 H ILE A 51 1.389 5.953 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.187 5.067 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 51 1.267 3.867 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.631 2.966 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.299 2.768 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.490 1.568 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.846 2.572 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.693 2.263 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.819 4.572 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.215 5.234 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.568 5.435 -2.901 1.00 0.00 H new ATOM 821 N ARG A 52 -1.687 4.547 -0.277 1.00 0.00 N ATOM 822 CA ARG A 52 -3.045 4.354 0.306 1.00 0.00 C ATOM 823 C ARG A 52 -3.981 5.447 -0.207 1.00 0.00 C ATOM 824 O ARG A 52 -5.119 5.192 -0.550 1.00 0.00 O ATOM 825 CB ARG A 52 -2.956 4.436 1.831 1.00 0.00 C ATOM 826 CG ARG A 52 -4.320 4.102 2.438 1.00 0.00 C ATOM 827 CD ARG A 52 -4.626 5.079 3.574 1.00 0.00 C ATOM 828 NE ARG A 52 -4.811 4.318 4.841 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.135 4.652 5.907 1.00 0.00 C ATOM 830 NH1 ARG A 52 -2.845 4.467 5.947 1.00 0.00 N ATOM 831 NH2 ARG A 52 -4.751 5.174 6.933 1.00 0.00 N ATOM 0 H ARG A 52 -0.917 4.507 0.391 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.432 3.378 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.201 3.741 2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.645 5.436 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.095 4.162 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.322 3.079 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.812 5.795 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.525 5.651 3.345 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.465 3.536 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.363 4.061 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.318 4.728 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.760 5.321 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.223 5.435 7.766 1.00 0.00 H new ATOM 845 N HIS A 53 -3.512 6.659 -0.272 1.00 0.00 N ATOM 846 CA HIS A 53 -4.373 7.764 -0.771 1.00 0.00 C ATOM 847 C HIS A 53 -4.496 7.659 -2.293 1.00 0.00 C ATOM 848 O HIS A 53 -5.483 8.059 -2.877 1.00 0.00 O ATOM 849 CB HIS A 53 -3.736 9.104 -0.394 1.00 0.00 C ATOM 850 CG HIS A 53 -4.582 10.233 -0.913 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.964 10.228 -0.819 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.252 11.416 -1.527 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.412 11.374 -1.364 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.409 12.135 -1.810 1.00 0.00 N ATOM 0 H HIS A 53 -2.568 6.933 -0.001 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.365 7.695 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.638 9.179 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.731 9.169 -0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.247 11.739 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.455 11.645 -1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.477 13.047 -2.261 1.00 0.00 H new ATOM 862 N ASN A 54 -3.492 7.134 -2.941 1.00 0.00 N ATOM 863 CA ASN A 54 -3.533 7.012 -4.426 1.00 0.00 C ATOM 864 C ASN A 54 -4.537 5.937 -4.856 1.00 0.00 C ATOM 865 O ASN A 54 -5.191 6.061 -5.873 1.00 0.00 O ATOM 866 CB ASN A 54 -2.140 6.640 -4.936 1.00 0.00 C ATOM 867 CG ASN A 54 -1.276 7.901 -5.004 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.630 8.859 -5.661 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.149 7.941 -4.348 1.00 0.00 N ATOM 0 H ASN A 54 -2.641 6.782 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.846 7.967 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.681 5.906 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.211 6.180 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.434 8.777 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.149 7.137 -3.796 1.00 0.00 H new ATOM 876 N LEU A 55 -4.662 4.877 -4.105 1.00 0.00 N ATOM 877 CA LEU A 55 -5.620 3.800 -4.501 1.00 0.00 C ATOM 878 C LEU A 55 -7.031 4.383 -4.630 1.00 0.00 C ATOM 879 O LEU A 55 -7.849 3.890 -5.378 1.00 0.00 O ATOM 880 CB LEU A 55 -5.631 2.674 -3.454 1.00 0.00 C ATOM 881 CG LEU A 55 -4.237 2.496 -2.847 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.244 1.305 -1.896 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.220 2.259 -3.968 1.00 0.00 C ATOM 0 H LEU A 55 -4.148 4.708 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.301 3.390 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.350 2.906 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.955 1.742 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.962 3.394 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.251 1.179 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.967 1.480 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.519 0.404 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.227 2.132 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.492 1.361 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.216 3.115 -4.643 1.00 0.00 H new ATOM 895 N SER A 56 -7.325 5.426 -3.901 1.00 0.00 N ATOM 896 CA SER A 56 -8.687 6.031 -3.984 1.00 0.00 C ATOM 897 C SER A 56 -8.717 7.116 -5.065 1.00 0.00 C ATOM 898 O SER A 56 -9.743 7.383 -5.659 1.00 0.00 O ATOM 899 CB SER A 56 -9.049 6.658 -2.636 1.00 0.00 C ATOM 900 OG SER A 56 -8.392 5.946 -1.595 1.00 0.00 O ATOM 0 H SER A 56 -6.684 5.884 -3.254 1.00 0.00 H new ATOM 0 HA SER A 56 -9.405 5.251 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.752 7.707 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.128 6.629 -2.487 1.00 0.00 H new ATOM 0 HG SER A 56 -8.620 6.346 -0.730 1.00 0.00 H new ATOM 906 N LEU A 57 -7.607 7.753 -5.317 1.00 0.00 N ATOM 907 CA LEU A 57 -7.582 8.830 -6.349 1.00 0.00 C ATOM 908 C LEU A 57 -7.662 8.218 -7.749 1.00 0.00 C ATOM 909 O LEU A 57 -8.118 8.844 -8.685 1.00 0.00 O ATOM 910 CB LEU A 57 -6.281 9.625 -6.222 1.00 0.00 C ATOM 911 CG LEU A 57 -6.116 10.104 -4.780 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.628 10.279 -4.470 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.837 11.441 -4.607 1.00 0.00 C ATOM 0 H LEU A 57 -6.716 7.575 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.437 9.489 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.433 9.004 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.296 10.478 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.543 9.369 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.508 10.621 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.115 9.326 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.199 11.016 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.722 11.786 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.408 12.177 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.896 11.315 -4.831 1.00 0.00 H new ATOM 925 N ASN A 58 -7.213 7.005 -7.904 1.00 0.00 N ATOM 926 CA ASN A 58 -7.253 6.364 -9.247 1.00 0.00 C ATOM 927 C ASN A 58 -8.683 5.938 -9.586 1.00 0.00 C ATOM 928 O ASN A 58 -9.526 5.808 -8.722 1.00 0.00 O ATOM 929 CB ASN A 58 -6.346 5.139 -9.243 1.00 0.00 C ATOM 930 CG ASN A 58 -4.883 5.591 -9.253 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.171 5.362 -10.210 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.405 6.231 -8.222 1.00 0.00 N ATOM 0 H ASN A 58 -6.820 6.430 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.910 7.078 -9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.544 4.529 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.552 4.517 -10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.433 6.540 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.003 6.423 -7.419 1.00 0.00 H new ATOM 939 N ARG A 59 -8.962 5.731 -10.846 1.00 0.00 N ATOM 940 CA ARG A 59 -10.336 5.325 -11.254 1.00 0.00 C ATOM 941 C ARG A 59 -10.457 3.797 -11.280 1.00 0.00 C ATOM 942 O ARG A 59 -11.546 3.258 -11.245 1.00 0.00 O ATOM 943 CB ARG A 59 -10.633 5.876 -12.649 1.00 0.00 C ATOM 944 CG ARG A 59 -9.490 5.510 -13.599 1.00 0.00 C ATOM 945 CD ARG A 59 -8.838 6.787 -14.131 1.00 0.00 C ATOM 946 NE ARG A 59 -9.896 7.762 -14.518 1.00 0.00 N ATOM 947 CZ ARG A 59 -9.667 9.045 -14.426 1.00 0.00 C ATOM 948 NH1 ARG A 59 -9.697 9.630 -13.260 1.00 0.00 N ATOM 949 NH2 ARG A 59 -9.405 9.740 -15.498 1.00 0.00 N ATOM 0 H ARG A 59 -8.294 5.826 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.050 5.725 -10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.573 5.467 -13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.751 6.959 -12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.751 4.902 -13.078 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.869 4.911 -14.427 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.190 7.221 -13.370 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.210 6.556 -14.991 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.799 7.428 -14.855 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.899 9.086 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.518 10.632 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.379 9.282 -16.409 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.226 10.742 -15.425 1.00 0.00 H new ATOM 963 N TYR A 60 -9.361 3.091 -11.354 1.00 0.00 N ATOM 964 CA TYR A 60 -9.451 1.601 -11.396 1.00 0.00 C ATOM 965 C TYR A 60 -9.201 1.015 -10.008 1.00 0.00 C ATOM 966 O TYR A 60 -9.588 -0.099 -9.718 1.00 0.00 O ATOM 967 CB TYR A 60 -8.418 1.027 -12.377 1.00 0.00 C ATOM 968 CG TYR A 60 -7.213 1.937 -12.485 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.466 2.279 -11.347 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.843 2.437 -13.736 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.357 3.125 -11.476 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.736 3.279 -13.860 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.992 3.625 -12.729 1.00 0.00 C ATOM 974 OH TYR A 60 -3.899 4.458 -12.850 1.00 0.00 O ATOM 0 H TYR A 60 -8.417 3.475 -11.387 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.453 1.332 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.103 0.038 -12.043 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.874 0.902 -13.359 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.745 1.892 -10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.416 2.171 -14.612 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.781 3.392 -10.602 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.455 3.663 -14.830 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.822 5.016 -12.048 1.00 0.00 H new ATOM 984 N PHE A 61 -8.550 1.740 -9.149 1.00 0.00 N ATOM 985 CA PHE A 61 -8.267 1.194 -7.795 1.00 0.00 C ATOM 986 C PHE A 61 -9.508 1.304 -6.908 1.00 0.00 C ATOM 987 O PHE A 61 -10.120 2.347 -6.791 1.00 0.00 O ATOM 988 CB PHE A 61 -7.085 1.955 -7.195 1.00 0.00 C ATOM 989 CG PHE A 61 -5.832 1.531 -7.928 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.618 0.175 -8.226 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.895 2.485 -8.335 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.474 -0.214 -8.921 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.752 2.089 -9.033 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.545 0.741 -9.327 1.00 0.00 C ATOM 0 H PHE A 61 -8.202 2.683 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.009 0.137 -7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.237 3.030 -7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.994 1.739 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.340 -0.566 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.055 3.529 -8.110 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.308 -1.257 -9.145 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.028 2.827 -9.345 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.663 0.437 -9.871 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.887 0.211 -6.293 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.097 0.211 -5.418 1.00 0.00 C ATOM 1006 C ILE A 62 -10.787 -0.558 -4.127 1.00 0.00 C ATOM 1007 O ILE A 62 -9.895 -1.381 -4.085 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.268 -0.467 -6.155 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.171 -1.992 -6.017 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.228 -0.105 -7.642 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.253 -2.651 -6.876 1.00 0.00 C ATOM 0 H ILE A 62 -9.406 -0.686 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.372 1.237 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.201 -0.118 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.185 -2.334 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.293 -2.282 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.059 -0.588 -8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.310 0.976 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.287 -0.445 -8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.185 -3.735 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.236 -2.318 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.110 -2.371 -7.920 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.520 -0.308 -3.076 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.258 -1.037 -1.801 1.00 0.00 C ATOM 1025 C LYS A 63 -12.422 -1.984 -1.496 1.00 0.00 C ATOM 1026 O LYS A 63 -13.494 -1.865 -2.054 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.105 -0.031 -0.659 1.00 0.00 C ATOM 1028 CG LYS A 63 -9.866 0.833 -0.906 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.981 2.133 -0.109 1.00 0.00 C ATOM 1030 CE LYS A 63 -9.796 1.838 1.381 1.00 0.00 C ATOM 1031 NZ LYS A 63 -8.403 1.371 1.627 1.00 0.00 N ATOM 0 H LYS A 63 -12.285 0.366 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.340 -1.617 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.993 0.598 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.013 -0.555 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.968 0.291 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.770 1.053 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.228 2.846 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.954 2.592 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.999 2.734 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.508 1.078 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.977 1.936 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.417 0.369 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.841 1.482 0.759 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.218 -2.924 -0.612 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.312 -3.877 -0.270 1.00 0.00 C ATOM 1047 C VAL A 64 -14.211 -3.247 0.802 1.00 0.00 C ATOM 1048 O VAL A 64 -13.723 -2.763 1.803 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.704 -5.172 0.271 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.822 -6.110 0.730 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.893 -5.854 -0.835 1.00 0.00 C ATOM 0 H VAL A 64 -11.341 -3.073 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.902 -4.097 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.053 -4.942 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.388 -7.033 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.403 -5.627 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.473 -6.340 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.459 -6.777 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.546 -6.083 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.096 -5.188 -1.165 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.498 -3.271 0.562 1.00 0.00 N ATOM 1062 CA PRO A 65 -16.483 -2.702 1.498 1.00 0.00 C ATOM 1063 C PRO A 65 -16.720 -3.661 2.668 1.00 0.00 C ATOM 1064 O PRO A 65 -16.081 -4.688 2.780 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.746 -2.553 0.645 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.596 -3.545 -0.533 1.00 0.00 C ATOM 1067 CD PRO A 65 -16.093 -3.861 -0.654 1.00 0.00 C ATOM 0 HA PRO A 65 -16.162 -1.758 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.638 -2.776 1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.851 -1.531 0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.169 -4.454 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.976 -3.109 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.915 -4.935 -0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.666 -3.425 -1.557 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.633 -3.334 3.541 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.906 -4.228 4.701 1.00 0.00 C ATOM 1077 C ARG A 66 -19.011 -5.220 4.330 1.00 0.00 C ATOM 1078 O ARG A 66 -19.769 -5.664 5.170 1.00 0.00 O ATOM 1079 CB ARG A 66 -18.356 -3.386 5.898 1.00 0.00 C ATOM 1080 CG ARG A 66 -17.318 -2.297 6.174 1.00 0.00 C ATOM 1081 CD ARG A 66 -17.855 -0.947 5.694 1.00 0.00 C ATOM 1082 NE ARG A 66 -16.735 0.033 5.608 1.00 0.00 N ATOM 1083 CZ ARG A 66 -16.971 1.264 5.244 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -18.130 1.585 4.739 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -16.047 2.175 5.385 1.00 0.00 N ATOM 0 H ARG A 66 -18.201 -2.488 3.501 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.000 -4.774 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.327 -2.935 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.477 -4.019 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.095 -2.254 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.384 -2.532 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.330 -1.059 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.619 -0.583 6.381 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.784 -0.259 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.853 0.874 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.314 2.547 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.140 1.925 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.232 3.137 5.100 1.00 0.00 H new ATOM 1099 N SER A 67 -19.107 -5.571 3.077 1.00 0.00 N ATOM 1100 CA SER A 67 -20.163 -6.534 2.653 1.00 0.00 C ATOM 1101 C SER A 67 -19.550 -7.598 1.739 1.00 0.00 C ATOM 1102 O SER A 67 -19.421 -7.406 0.546 1.00 0.00 O ATOM 1103 CB SER A 67 -21.260 -5.785 1.896 1.00 0.00 C ATOM 1104 OG SER A 67 -22.394 -6.631 1.755 1.00 0.00 O ATOM 0 H SER A 67 -18.501 -5.233 2.329 1.00 0.00 H new ATOM 0 HA SER A 67 -20.590 -7.014 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 67 -21.534 -4.877 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.897 -5.478 0.915 1.00 0.00 H new ATOM 0 HG SER A 67 -23.100 -6.154 1.271 1.00 0.00 H new ATOM 1110 N GLN A 68 -19.172 -8.722 2.287 1.00 0.00 N ATOM 1111 CA GLN A 68 -18.570 -9.796 1.445 1.00 0.00 C ATOM 1112 C GLN A 68 -19.084 -11.158 1.915 1.00 0.00 C ATOM 1113 O GLN A 68 -19.776 -11.853 1.200 1.00 0.00 O ATOM 1114 CB GLN A 68 -17.046 -9.753 1.575 1.00 0.00 C ATOM 1115 CG GLN A 68 -16.421 -9.484 0.203 1.00 0.00 C ATOM 1116 CD GLN A 68 -16.607 -10.708 -0.693 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -17.532 -11.476 -0.511 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -15.758 -10.928 -1.661 1.00 0.00 N ATOM 0 H GLN A 68 -19.254 -8.943 3.279 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.849 -9.641 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.753 -8.974 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.678 -10.698 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.886 -8.611 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.360 -9.259 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.982 -10.284 -1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.871 -11.743 -2.263 1.00 0.00 H new ATOM 1127 N GLU A 69 -18.749 -11.542 3.115 1.00 0.00 N ATOM 1128 CA GLU A 69 -19.216 -12.856 3.637 1.00 0.00 C ATOM 1129 C GLU A 69 -19.346 -12.774 5.159 1.00 0.00 C ATOM 1130 O GLU A 69 -20.433 -12.804 5.702 1.00 0.00 O ATOM 1131 CB GLU A 69 -18.202 -13.941 3.268 1.00 0.00 C ATOM 1132 CG GLU A 69 -18.733 -15.308 3.704 1.00 0.00 C ATOM 1133 CD GLU A 69 -18.809 -16.236 2.490 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -19.480 -15.878 1.536 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -18.194 -17.289 2.536 1.00 0.00 O ATOM 0 H GLU A 69 -18.171 -11.001 3.758 1.00 0.00 H new ATOM 0 HA GLU A 69 -20.183 -13.102 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -18.023 -13.935 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.246 -13.740 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.080 -15.738 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.719 -15.200 4.155 1.00 0.00 H new ATOM 1142 N GLU A 70 -18.245 -12.666 5.850 1.00 0.00 N ATOM 1143 CA GLU A 70 -18.301 -12.576 7.336 1.00 0.00 C ATOM 1144 C GLU A 70 -18.437 -11.106 7.748 1.00 0.00 C ATOM 1145 O GLU A 70 -17.916 -10.230 7.089 1.00 0.00 O ATOM 1146 CB GLU A 70 -17.016 -13.156 7.930 1.00 0.00 C ATOM 1147 CG GLU A 70 -17.350 -14.391 8.767 1.00 0.00 C ATOM 1148 CD GLU A 70 -17.866 -15.505 7.855 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -17.061 -16.082 7.143 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -19.058 -15.763 7.883 1.00 0.00 O ATOM 0 H GLU A 70 -17.308 -12.636 5.449 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.157 -13.140 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.322 -13.422 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.519 -12.408 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.464 -14.729 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.102 -14.143 9.516 1.00 0.00 H new ATOM 1157 N PRO A 71 -19.136 -10.883 8.832 1.00 0.00 N ATOM 1158 CA PRO A 71 -19.361 -9.528 9.362 1.00 0.00 C ATOM 1159 C PRO A 71 -18.112 -9.021 10.091 1.00 0.00 C ATOM 1160 O PRO A 71 -17.983 -9.158 11.292 1.00 0.00 O ATOM 1161 CB PRO A 71 -20.530 -9.712 10.334 1.00 0.00 C ATOM 1162 CG PRO A 71 -20.538 -11.209 10.728 1.00 0.00 C ATOM 1163 CD PRO A 71 -19.764 -11.957 9.626 1.00 0.00 C ATOM 0 HA PRO A 71 -19.573 -8.793 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -20.407 -9.079 11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.473 -9.428 9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.068 -11.356 11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -21.559 -11.584 10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -19.017 -12.628 10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -20.430 -12.566 9.015 1.00 0.00 H new ATOM 1171 N GLY A 72 -17.192 -8.437 9.372 1.00 0.00 N ATOM 1172 CA GLY A 72 -15.951 -7.921 10.017 1.00 0.00 C ATOM 1173 C GLY A 72 -15.267 -6.921 9.082 1.00 0.00 C ATOM 1174 O GLY A 72 -15.360 -7.022 7.875 1.00 0.00 O ATOM 0 H GLY A 72 -17.247 -8.295 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.194 -7.441 10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.275 -8.746 10.241 1.00 0.00 H new ATOM 1178 N LYS A 73 -14.581 -5.954 9.629 1.00 0.00 N ATOM 1179 CA LYS A 73 -13.894 -4.948 8.769 1.00 0.00 C ATOM 1180 C LYS A 73 -12.762 -5.624 7.991 1.00 0.00 C ATOM 1181 O LYS A 73 -12.389 -6.747 8.267 1.00 0.00 O ATOM 1182 CB LYS A 73 -13.325 -3.825 9.648 1.00 0.00 C ATOM 1183 CG LYS A 73 -12.033 -4.292 10.328 1.00 0.00 C ATOM 1184 CD LYS A 73 -12.348 -5.418 11.315 1.00 0.00 C ATOM 1185 CE LYS A 73 -11.083 -5.784 12.094 1.00 0.00 C ATOM 1186 NZ LYS A 73 -11.202 -7.179 12.606 1.00 0.00 N ATOM 0 H LYS A 73 -14.467 -5.817 10.633 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.609 -4.524 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.127 -2.942 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.058 -3.536 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.322 -4.640 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.564 -3.458 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.133 -5.104 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.723 -6.290 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.208 -5.695 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.941 -5.091 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.343 -7.429 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.028 -7.249 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.318 -7.834 11.806 1.00 0.00 H new ATOM 1200 N GLY A 74 -12.212 -4.946 7.020 1.00 0.00 N ATOM 1201 CA GLY A 74 -11.105 -5.547 6.225 1.00 0.00 C ATOM 1202 C GLY A 74 -10.332 -4.436 5.511 1.00 0.00 C ATOM 1203 O GLY A 74 -10.893 -3.661 4.762 1.00 0.00 O ATOM 0 H GLY A 74 -12.482 -4.002 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.437 -6.109 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.506 -6.252 5.497 1.00 0.00 H new ATOM 1207 N SER A 75 -9.051 -4.349 5.737 1.00 0.00 N ATOM 1208 CA SER A 75 -8.247 -3.285 5.072 1.00 0.00 C ATOM 1209 C SER A 75 -7.713 -3.803 3.735 1.00 0.00 C ATOM 1210 O SER A 75 -6.703 -3.342 3.240 1.00 0.00 O ATOM 1211 CB SER A 75 -7.073 -2.897 5.971 1.00 0.00 C ATOM 1212 OG SER A 75 -7.494 -2.919 7.328 1.00 0.00 O ATOM 0 H SER A 75 -8.525 -4.969 6.354 1.00 0.00 H new ATOM 0 HA SER A 75 -8.877 -2.413 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.243 -3.589 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.710 -1.904 5.707 1.00 0.00 H new ATOM 0 HG SER A 75 -6.743 -2.672 7.907 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.379 -4.756 3.143 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.899 -5.295 1.839 1.00 0.00 C ATOM 1220 C PHE A 76 -8.548 -4.520 0.692 1.00 0.00 C ATOM 1221 O PHE A 76 -9.754 -4.396 0.618 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.272 -6.773 1.726 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.075 -7.552 1.242 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.406 -7.155 0.078 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.634 -8.671 1.956 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.294 -7.877 -0.369 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.523 -9.394 1.509 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.852 -8.997 0.346 1.00 0.00 C ATOM 0 H PHE A 76 -9.232 -5.184 3.504 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.816 -5.187 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.600 -7.152 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.106 -6.898 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.748 -6.292 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.152 -8.977 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.776 -7.570 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.183 -10.258 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.994 -9.554 0.000 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.757 -3.997 -0.203 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.326 -3.228 -1.343 1.00 0.00 C ATOM 1240 C TRP A 77 -7.822 -3.827 -2.667 1.00 0.00 C ATOM 1241 O TRP A 77 -6.970 -4.694 -2.674 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.897 -1.761 -1.210 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.514 -1.583 -1.739 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.370 -1.802 -1.051 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.119 -1.144 -3.059 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -4.295 -1.531 -1.879 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.710 -1.119 -3.129 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.848 -0.770 -4.192 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.046 -0.732 -4.289 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -6.191 -0.380 -5.359 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.791 -0.359 -5.410 1.00 0.00 C ATOM 0 H TRP A 77 -6.740 -4.069 -0.194 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.415 -3.283 -1.334 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.589 -1.120 -1.756 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.937 -1.455 -0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.306 -2.134 -0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.318 -1.624 -1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.928 -0.783 -4.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.967 -0.720 -4.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.765 -0.093 -6.228 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.288 -0.054 -6.316 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.340 -3.386 -3.787 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.875 -3.958 -5.088 1.00 0.00 C ATOM 1264 C ARG A 78 -8.194 -3.009 -6.247 1.00 0.00 C ATOM 1265 O ARG A 78 -8.753 -1.945 -6.066 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.584 -5.290 -5.339 1.00 0.00 C ATOM 1267 CG ARG A 78 -10.061 -5.032 -5.652 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.717 -6.325 -6.140 1.00 0.00 C ATOM 1269 NE ARG A 78 -12.107 -6.407 -5.607 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.746 -7.544 -5.622 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.196 -8.610 -5.109 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.937 -7.616 -6.151 1.00 0.00 N ATOM 0 H ARG A 78 -9.056 -2.663 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.796 -4.102 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.112 -5.815 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.494 -5.933 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.573 -4.666 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.152 -4.257 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.732 -6.350 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.138 -7.187 -5.809 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.558 -5.573 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.265 -8.555 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.697 -9.498 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.368 -6.783 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.437 -8.505 -6.163 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.847 -3.411 -7.442 1.00 0.00 N ATOM 1287 CA ILE A 79 -8.125 -2.568 -8.643 1.00 0.00 C ATOM 1288 C ILE A 79 -9.272 -3.200 -9.438 1.00 0.00 C ATOM 1289 O ILE A 79 -9.550 -4.376 -9.306 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.866 -2.502 -9.517 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -7.164 -1.711 -10.791 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.426 -3.913 -9.892 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.957 -0.849 -11.155 1.00 0.00 C ATOM 0 H ILE A 79 -7.379 -4.295 -7.639 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.404 -1.560 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.070 -2.008 -8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.396 -2.394 -11.609 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.041 -1.081 -10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.532 -3.862 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.208 -4.479 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.224 -4.408 -10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.172 -0.286 -12.063 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.746 -0.156 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.090 -1.488 -11.321 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.944 -2.439 -10.261 1.00 0.00 N ATOM 1306 CA ASP A 80 -11.068 -3.016 -11.048 1.00 0.00 C ATOM 1307 C ASP A 80 -10.542 -4.179 -11.893 1.00 0.00 C ATOM 1308 O ASP A 80 -9.389 -4.192 -12.281 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.661 -1.942 -11.961 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.894 -1.328 -11.293 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.276 -1.812 -10.241 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.432 -0.383 -11.845 1.00 0.00 O ATOM 0 H ASP A 80 -9.763 -1.448 -10.420 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.843 -3.376 -10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.919 -1.169 -12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.934 -2.377 -12.922 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.402 -5.133 -12.128 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.061 -6.343 -12.897 1.00 0.00 C ATOM 1319 C PRO A 81 -11.059 -6.072 -14.407 1.00 0.00 C ATOM 1320 O PRO A 81 -10.035 -6.152 -15.057 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.175 -7.326 -12.522 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.369 -6.472 -12.029 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.799 -5.093 -11.646 1.00 0.00 C ATOM 0 HA PRO A 81 -10.062 -6.715 -12.670 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.461 -7.934 -13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.841 -8.012 -11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.124 -6.375 -12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.853 -6.942 -11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.360 -4.285 -12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.845 -4.928 -10.570 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.195 -5.774 -14.974 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.251 -5.522 -16.445 1.00 0.00 C ATOM 1333 C ALA A 82 -11.304 -4.382 -16.825 1.00 0.00 C ATOM 1334 O ALA A 82 -10.965 -4.209 -17.980 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.682 -5.156 -16.845 1.00 0.00 C ATOM 0 H ALA A 82 -13.087 -5.694 -14.485 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.942 -6.425 -16.971 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.724 -4.972 -17.919 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.352 -5.977 -16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.991 -4.258 -16.310 1.00 0.00 H new ATOM 1341 N SER A 83 -10.868 -3.603 -15.874 1.00 0.00 N ATOM 1342 CA SER A 83 -9.941 -2.483 -16.205 1.00 0.00 C ATOM 1343 C SER A 83 -8.499 -2.959 -16.041 1.00 0.00 C ATOM 1344 O SER A 83 -7.567 -2.288 -16.430 1.00 0.00 O ATOM 1345 CB SER A 83 -10.192 -1.307 -15.258 1.00 0.00 C ATOM 1346 OG SER A 83 -11.545 -0.888 -15.380 1.00 0.00 O ATOM 0 H SER A 83 -11.111 -3.692 -14.887 1.00 0.00 H new ATOM 0 HA SER A 83 -10.113 -2.164 -17.233 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.981 -1.601 -14.230 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.521 -0.482 -15.497 1.00 0.00 H new ATOM 0 HG SER A 83 -11.710 -0.136 -14.774 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.305 -4.112 -15.467 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.916 -4.608 -15.272 1.00 0.00 C ATOM 1354 C GLU A 84 -6.205 -4.678 -16.618 1.00 0.00 C ATOM 1355 O GLU A 84 -5.251 -3.968 -16.849 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.943 -6.000 -14.637 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.982 -5.869 -13.113 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.040 -6.899 -12.489 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.424 -8.054 -12.407 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.947 -6.515 -12.103 1.00 0.00 O ATOM 0 H GLU A 84 -9.043 -4.729 -15.126 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.383 -3.923 -14.612 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.815 -6.553 -14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.063 -6.566 -14.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.686 -4.863 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.998 -6.023 -12.750 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.659 -5.513 -17.511 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.991 -5.604 -18.841 1.00 0.00 C ATOM 1369 C ALA A 85 -5.684 -4.193 -19.351 1.00 0.00 C ATOM 1370 O ALA A 85 -4.773 -3.987 -20.128 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.916 -6.316 -19.831 1.00 0.00 C ATOM 0 H ALA A 85 -7.458 -6.133 -17.380 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.063 -6.168 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.427 -6.382 -20.803 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.136 -7.319 -19.466 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.845 -5.754 -19.930 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.437 -3.218 -18.917 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.188 -1.823 -19.371 1.00 0.00 C ATOM 1379 C LYS A 86 -5.071 -1.197 -18.531 1.00 0.00 C ATOM 1380 O LYS A 86 -4.013 -0.876 -19.035 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.470 -1.003 -19.212 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.208 0.446 -19.624 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.007 1.386 -18.719 1.00 0.00 C ATOM 1384 CE LYS A 86 -7.090 2.488 -18.188 1.00 0.00 C ATOM 1385 NZ LYS A 86 -7.861 3.756 -18.058 1.00 0.00 N ATOM 0 H LYS A 86 -7.215 -3.330 -18.267 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.886 -1.831 -20.418 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.264 -1.428 -19.826 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.812 -1.041 -18.178 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.144 0.670 -19.550 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.493 0.597 -20.665 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.836 1.825 -19.275 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.440 0.828 -17.889 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.679 2.199 -17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.246 2.631 -18.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.238 4.506 -17.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.233 4.033 -18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.652 3.615 -17.397 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.296 -1.007 -17.258 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.237 -0.384 -16.407 1.00 0.00 C ATOM 1401 C LEU A 87 -2.914 -1.106 -16.597 1.00 0.00 C ATOM 1402 O LEU A 87 -1.928 -0.529 -17.010 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.605 -0.451 -14.918 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.591 -1.588 -14.638 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -5.092 -2.407 -13.445 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.965 -0.992 -14.306 1.00 0.00 C ATOM 0 H LEU A 87 -6.159 -1.253 -16.773 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.151 0.658 -16.714 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.702 -0.596 -14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.043 0.497 -14.607 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.671 -2.231 -15.515 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.792 -3.218 -13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.111 -2.823 -13.674 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.018 -1.764 -12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.672 -1.797 -14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.882 -0.354 -13.426 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.319 -0.400 -15.150 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.885 -2.360 -16.281 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.635 -3.140 -16.416 1.00 0.00 C ATOM 1420 C VAL A 88 -0.904 -2.760 -17.701 1.00 0.00 C ATOM 1421 O VAL A 88 0.308 -2.817 -17.779 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.997 -4.600 -16.495 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.629 -5.056 -15.177 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.989 -4.789 -17.641 1.00 0.00 C ATOM 0 H VAL A 88 -3.685 -2.886 -15.930 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.990 -2.935 -15.562 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.102 -5.196 -16.672 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.887 -6.113 -15.244 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.920 -4.907 -14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.530 -4.474 -14.985 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.264 -5.841 -17.715 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.882 -4.193 -17.451 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.530 -4.468 -18.576 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.626 -2.377 -18.713 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.959 -2.000 -19.990 1.00 0.00 C ATOM 1436 C GLU A 89 0.094 -0.939 -19.683 1.00 0.00 C ATOM 1437 O GLU A 89 1.167 -0.928 -20.250 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.993 -1.432 -20.965 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.503 -1.634 -22.402 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.874 -0.413 -23.246 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.876 0.213 -22.941 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -1.149 -0.125 -24.184 1.00 0.00 O ATOM 0 H GLU A 89 -2.644 -2.308 -18.714 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.493 -2.875 -20.443 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.953 -1.928 -20.824 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.150 -0.371 -20.768 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.423 -1.781 -22.412 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.951 -2.532 -22.827 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.199 -0.061 -18.765 1.00 0.00 N ATOM 1450 CA GLN A 90 0.794 0.983 -18.392 1.00 0.00 C ATOM 1451 C GLN A 90 1.657 0.445 -17.248 1.00 0.00 C ATOM 1452 O GLN A 90 2.716 0.963 -16.956 1.00 0.00 O ATOM 1453 CB GLN A 90 0.065 2.246 -17.930 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.762 2.813 -19.084 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.419 4.122 -18.644 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -1.220 4.572 -17.533 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -2.199 4.758 -19.475 1.00 0.00 N ATOM 0 H GLN A 90 -1.083 -0.022 -18.257 1.00 0.00 H new ATOM 0 HA GLN A 90 1.418 1.228 -19.252 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.583 2.015 -17.084 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.785 2.989 -17.586 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.125 2.987 -19.951 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.524 2.095 -19.387 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.366 4.381 -20.408 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.641 5.632 -19.192 1.00 0.00 H new ATOM 1466 N ALA A 91 1.204 -0.595 -16.598 1.00 0.00 N ATOM 1467 CA ALA A 91 1.983 -1.174 -15.468 1.00 0.00 C ATOM 1468 C ALA A 91 3.205 -1.922 -16.006 1.00 0.00 C ATOM 1469 O ALA A 91 4.142 -2.196 -15.281 1.00 0.00 O ATOM 1470 CB ALA A 91 1.100 -2.139 -14.676 1.00 0.00 C ATOM 0 H ALA A 91 0.324 -1.069 -16.803 1.00 0.00 H new ATOM 0 HA ALA A 91 2.316 -0.367 -14.815 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.672 -2.561 -13.850 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.237 -1.603 -14.283 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.761 -2.942 -15.330 1.00 0.00 H new ATOM 1476 N PHE A 92 3.209 -2.252 -17.267 1.00 0.00 N ATOM 1477 CA PHE A 92 4.376 -2.979 -17.842 1.00 0.00 C ATOM 1478 C PHE A 92 5.447 -1.972 -18.272 1.00 0.00 C ATOM 1479 O PHE A 92 6.500 -2.341 -18.753 1.00 0.00 O ATOM 1480 CB PHE A 92 3.920 -3.792 -19.058 1.00 0.00 C ATOM 1481 CG PHE A 92 3.120 -4.998 -18.607 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.699 -5.113 -17.274 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.799 -6.003 -19.529 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.959 -6.230 -16.867 1.00 0.00 C ATOM 1485 CE2 PHE A 92 2.058 -7.119 -19.120 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.639 -7.232 -17.790 1.00 0.00 C ATOM 0 H PHE A 92 2.456 -2.050 -17.924 1.00 0.00 H new ATOM 0 HA PHE A 92 4.792 -3.650 -17.090 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.314 -3.169 -19.716 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.786 -4.115 -19.635 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.946 -4.340 -16.561 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.123 -5.917 -20.556 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.635 -6.318 -15.840 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.810 -7.893 -19.832 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.068 -8.093 -17.475 1.00 0.00 H new ATOM 1496 N ARG A 93 5.188 -0.705 -18.102 1.00 0.00 N ATOM 1497 CA ARG A 93 6.191 0.323 -18.500 1.00 0.00 C ATOM 1498 C ARG A 93 5.815 1.663 -17.864 1.00 0.00 C ATOM 1499 O ARG A 93 4.749 2.195 -18.103 1.00 0.00 O ATOM 1500 CB ARG A 93 6.198 0.464 -20.024 1.00 0.00 C ATOM 1501 CG ARG A 93 7.450 -0.205 -20.597 1.00 0.00 C ATOM 1502 CD ARG A 93 7.334 -0.284 -22.121 1.00 0.00 C ATOM 1503 NE ARG A 93 8.477 -1.068 -22.667 1.00 0.00 N ATOM 1504 CZ ARG A 93 8.253 -2.100 -23.434 1.00 0.00 C ATOM 1505 NH1 ARG A 93 7.666 -3.159 -22.948 1.00 0.00 N ATOM 1506 NH2 ARG A 93 8.616 -2.072 -24.688 1.00 0.00 N ATOM 0 H ARG A 93 4.324 -0.336 -17.704 1.00 0.00 H new ATOM 0 HA ARG A 93 7.182 0.022 -18.161 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.303 0.006 -20.446 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.177 1.518 -20.302 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.338 0.362 -20.318 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.565 -1.205 -20.178 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.391 -0.753 -22.401 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.330 0.719 -22.548 1.00 0.00 H new ATOM 0 HE ARG A 93 9.435 -0.798 -22.441 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.382 -3.180 -21.969 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.491 -3.965 -23.548 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.074 -1.244 -25.068 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.441 -2.878 -25.288 1.00 0.00 H new ATOM 1520 N LYS A 94 6.679 2.215 -17.054 1.00 0.00 N ATOM 1521 CA LYS A 94 6.357 3.519 -16.409 1.00 0.00 C ATOM 1522 C LYS A 94 7.600 4.076 -15.713 1.00 0.00 C ATOM 1523 O LYS A 94 8.251 3.401 -14.941 1.00 0.00 O ATOM 1524 CB LYS A 94 5.243 3.317 -15.380 1.00 0.00 C ATOM 1525 CG LYS A 94 4.923 4.652 -14.706 1.00 0.00 C ATOM 1526 CD LYS A 94 4.098 5.522 -15.657 1.00 0.00 C ATOM 1527 CE LYS A 94 3.936 6.922 -15.061 1.00 0.00 C ATOM 1528 NZ LYS A 94 3.702 7.906 -16.156 1.00 0.00 N ATOM 0 H LYS A 94 7.588 1.821 -16.813 1.00 0.00 H new ATOM 0 HA LYS A 94 6.027 4.225 -17.171 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.352 2.920 -15.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.551 2.585 -14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.371 4.481 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.846 5.165 -14.436 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.589 5.584 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.120 5.071 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.101 6.936 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.829 7.194 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.592 8.857 -15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.512 7.899 -16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.838 7.649 -16.675 1.00 0.00 H new ATOM 1542 N ARG A 95 7.930 5.307 -15.981 1.00 0.00 N ATOM 1543 CA ARG A 95 9.121 5.926 -15.335 1.00 0.00 C ATOM 1544 C ARG A 95 9.298 7.348 -15.871 1.00 0.00 C ATOM 1545 O ARG A 95 10.318 7.680 -16.443 1.00 0.00 O ATOM 1546 CB ARG A 95 10.369 5.098 -15.645 1.00 0.00 C ATOM 1547 CG ARG A 95 10.939 4.539 -14.341 1.00 0.00 C ATOM 1548 CD ARG A 95 10.856 3.012 -14.360 1.00 0.00 C ATOM 1549 NE ARG A 95 12.221 2.443 -14.546 1.00 0.00 N ATOM 1550 CZ ARG A 95 12.483 1.701 -15.588 1.00 0.00 C ATOM 1551 NH1 ARG A 95 11.967 0.506 -15.682 1.00 0.00 N ATOM 1552 NH2 ARG A 95 13.258 2.155 -16.533 1.00 0.00 N ATOM 0 H ARG A 95 7.423 5.916 -16.624 1.00 0.00 H new ATOM 0 HA ARG A 95 8.976 5.956 -14.255 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.120 4.284 -16.325 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.114 5.716 -16.146 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.975 4.856 -14.219 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.383 4.933 -13.490 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.423 2.649 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.200 2.683 -15.166 1.00 0.00 H new ATOM 0 HE ARG A 95 12.951 2.633 -13.859 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.360 0.153 -14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.171 -0.075 -16.495 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.660 3.090 -16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.463 1.576 -17.347 1.00 0.00 H new ATOM 1566 N ARG A 96 8.315 8.186 -15.702 1.00 0.00 N ATOM 1567 CA ARG A 96 8.433 9.580 -16.217 1.00 0.00 C ATOM 1568 C ARG A 96 8.650 10.552 -15.053 1.00 0.00 C ATOM 1569 O ARG A 96 8.098 10.393 -13.983 1.00 0.00 O ATOM 1570 CB ARG A 96 7.149 9.959 -16.959 1.00 0.00 C ATOM 1571 CG ARG A 96 7.505 10.595 -18.304 1.00 0.00 C ATOM 1572 CD ARG A 96 8.425 9.656 -19.086 1.00 0.00 C ATOM 1573 NE ARG A 96 7.986 9.602 -20.509 1.00 0.00 N ATOM 1574 CZ ARG A 96 6.734 9.372 -20.796 1.00 0.00 C ATOM 1575 NH1 ARG A 96 6.230 8.184 -20.609 1.00 0.00 N ATOM 1576 NH2 ARG A 96 5.985 10.332 -21.266 1.00 0.00 N ATOM 0 H ARG A 96 7.437 7.968 -15.231 1.00 0.00 H new ATOM 0 HA ARG A 96 9.283 9.638 -16.897 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.532 9.074 -17.115 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.562 10.655 -16.360 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.598 10.792 -18.876 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.997 11.555 -18.145 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.456 10.005 -19.025 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.401 8.658 -18.649 1.00 0.00 H new ATOM 0 HE ARG A 96 8.664 9.745 -21.258 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.814 7.435 -20.238 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.251 8.004 -20.833 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.378 11.262 -21.409 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.006 10.152 -21.490 1.00 0.00 H new ATOM 1590 N GLN A 97 9.451 11.561 -15.263 1.00 0.00 N ATOM 1591 CA GLN A 97 9.705 12.551 -14.178 1.00 0.00 C ATOM 1592 C GLN A 97 9.038 13.879 -14.543 1.00 0.00 C ATOM 1593 O GLN A 97 8.057 13.914 -15.259 1.00 0.00 O ATOM 1594 CB GLN A 97 11.214 12.762 -14.026 1.00 0.00 C ATOM 1595 CG GLN A 97 11.547 13.039 -12.558 1.00 0.00 C ATOM 1596 CD GLN A 97 12.765 13.959 -12.477 1.00 0.00 C ATOM 1597 OE1 GLN A 97 13.636 13.910 -13.324 1.00 0.00 O ATOM 1598 NE2 GLN A 97 12.866 14.805 -11.488 1.00 0.00 N ATOM 0 H GLN A 97 9.941 11.743 -16.139 1.00 0.00 H new ATOM 0 HA GLN A 97 9.294 12.181 -13.239 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.752 11.879 -14.371 1.00 0.00 H new ATOM 0 HB3 GLN A 97 11.539 13.596 -14.647 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.694 13.502 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.749 12.103 -12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.136 14.847 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.675 15.424 -11.427 1.00 0.00 H new ATOM 1607 N ARG A 98 9.561 14.973 -14.060 1.00 0.00 N ATOM 1608 CA ARG A 98 8.953 16.295 -14.384 1.00 0.00 C ATOM 1609 C ARG A 98 10.051 17.360 -14.434 1.00 0.00 C ATOM 1610 O ARG A 98 10.324 18.030 -13.458 1.00 0.00 O ATOM 1611 CB ARG A 98 7.927 16.664 -13.309 1.00 0.00 C ATOM 1612 CG ARG A 98 6.805 15.624 -13.300 1.00 0.00 C ATOM 1613 CD ARG A 98 5.643 16.131 -12.445 1.00 0.00 C ATOM 1614 NE ARG A 98 4.811 14.974 -12.006 1.00 0.00 N ATOM 1615 CZ ARG A 98 3.511 15.077 -11.983 1.00 0.00 C ATOM 1616 NH1 ARG A 98 2.816 14.819 -13.057 1.00 0.00 N ATOM 1617 NH2 ARG A 98 2.905 15.439 -10.885 1.00 0.00 N ATOM 0 H ARG A 98 10.382 15.009 -13.456 1.00 0.00 H new ATOM 0 HA ARG A 98 8.456 16.240 -15.352 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.407 16.706 -12.331 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.518 17.655 -13.506 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.465 15.433 -14.318 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.175 14.678 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.023 16.670 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.036 16.834 -13.016 1.00 0.00 H new ATOM 0 HE ARG A 98 5.259 14.102 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.289 14.537 -13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.799 14.900 -13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.448 15.641 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.888 15.520 -10.866 1.00 0.00 H new ATOM 1631 N GLY A 99 10.682 17.519 -15.565 1.00 0.00 N ATOM 1632 CA GLY A 99 11.762 18.538 -15.679 1.00 0.00 C ATOM 1633 C GLY A 99 12.294 18.555 -17.114 1.00 0.00 C ATOM 1634 O GLY A 99 13.309 17.961 -17.416 1.00 0.00 O ATOM 0 H GLY A 99 10.496 16.987 -16.415 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.379 19.522 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.569 18.309 -14.983 1.00 0.00 H new ATOM 1638 N VAL A 100 11.614 19.230 -18.001 1.00 0.00 N ATOM 1639 CA VAL A 100 12.081 19.281 -19.415 1.00 0.00 C ATOM 1640 C VAL A 100 12.185 20.739 -19.867 1.00 0.00 C ATOM 1641 O VAL A 100 12.060 21.048 -21.035 1.00 0.00 O ATOM 1642 CB VAL A 100 11.084 18.540 -20.308 1.00 0.00 C ATOM 1643 CG1 VAL A 100 11.713 18.287 -21.678 1.00 0.00 C ATOM 1644 CG2 VAL A 100 10.722 17.199 -19.661 1.00 0.00 C ATOM 0 H VAL A 100 10.757 19.747 -17.807 1.00 0.00 H new ATOM 0 HA VAL A 100 13.060 18.807 -19.491 1.00 0.00 H new ATOM 0 HB VAL A 100 10.185 19.145 -20.427 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.002 17.759 -22.313 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.975 19.239 -22.140 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.612 17.682 -21.560 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.012 16.669 -20.295 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.623 16.597 -19.543 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.274 17.376 -18.683 1.00 0.00 H new ATOM 1654 N SER A 101 12.415 21.639 -18.952 1.00 0.00 N ATOM 1655 CA SER A 101 12.528 23.075 -19.329 1.00 0.00 C ATOM 1656 C SER A 101 13.198 23.850 -18.193 1.00 0.00 C ATOM 1657 O SER A 101 12.897 23.560 -17.047 1.00 0.00 O ATOM 1658 CB SER A 101 11.133 23.647 -19.585 1.00 0.00 C ATOM 1659 OG SER A 101 11.253 24.909 -20.228 1.00 0.00 O ATOM 1660 OXT SER A 101 14.001 24.720 -18.487 1.00 0.00 O ATOM 0 H SER A 101 12.530 21.441 -17.958 1.00 0.00 H new ATOM 0 HA SER A 101 13.129 23.167 -20.234 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.555 22.963 -20.207 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.594 23.755 -18.644 1.00 0.00 H new ATOM 0 HG SER A 101 10.360 25.277 -20.395 1.00 0.00 H new TER 1666 SER A 101