USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 938 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 51 GLN :FLIP amide:sc= -0.409 F(o=-9.4,f=-2.1) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -134:sc= -1.69 (180deg=-3.45!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc=-0.00769 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.0142 X(o=-0.022,f=-0.22) USER MOD Set 3.1: A 39 SER OG : rot 170:sc= 0.196 USER MOD Set 3.2: A 48 TYR OH : rot -150:sc= -0.744 USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= -0.762 USER MOD Set 4.2: A 34 THR OG1 : rot 103:sc= 0.0393 USER MOD Set 4.3: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 29 SER OG : rot -56:sc= -0.0173 USER MOD Set 5.2: A 30 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0295 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0047 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -44:sc= -0.328 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 36 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 67 SER OG : rot 31:sc= 1.06 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -0.0748 (180deg=-0.482) USER MOD Single : A 76 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.645 (180deg=-1.03) USER MOD Single : A 79 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 80 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.3!) USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.0358 F(o=-0.55,f=-0.036) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 85 HIS :FLIP no HD1:sc= -4.25! C(o=-5.3!,f=-4.3!) USER MOD Single : A 88 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 62:sc= 0.265 USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -3.91! C(o=-3.9!,f=-14!) USER MOD Single : A 102 GLN : amide:sc= -0.0755 K(o=-0.076,f=-1.5!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.34 USER MOD Single : A 107 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.67) USER MOD Single : A 108 SER OG : rot 108:sc= 1.14 USER MOD Single : A 111 THR OG1 : rot -110:sc= -0.203 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -166:sc= 0.5 USER MOD Single : A 116 ASN : amide:sc= -3.68! C(o=-3.7!,f=-4.3!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.552 -4.004 6.529 1.00 0.00 N ATOM 2 CA GLY A 1 -14.726 -4.745 6.107 1.00 0.00 C ATOM 3 C GLY A 1 -14.475 -6.239 6.041 1.00 0.00 C ATOM 4 O GLY A 1 -13.360 -6.676 5.757 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.504 -3.104 6.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.611 -3.812 7.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.698 -4.564 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.545 -4.547 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.044 -4.389 5.127 1.00 0.00 H new ATOM 8 N SER A 2 -15.515 -7.024 6.305 1.00 0.00 N ATOM 9 CA SER A 2 -15.401 -8.478 6.279 1.00 0.00 C ATOM 10 C SER A 2 -15.560 -9.010 4.858 1.00 0.00 C ATOM 11 O SER A 2 -16.546 -8.720 4.182 1.00 0.00 O ATOM 12 CB SER A 2 -16.452 -9.109 7.194 1.00 0.00 C ATOM 13 OG SER A 2 -16.033 -9.083 8.547 1.00 0.00 O ATOM 0 H SER A 2 -16.445 -6.678 6.539 1.00 0.00 H new ATOM 0 HA SER A 2 -14.408 -8.747 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.396 -8.573 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.635 -10.139 6.887 1.00 0.00 H new ATOM 0 HG SER A 2 -16.723 -9.491 9.111 1.00 0.00 H new ATOM 19 N SER A 3 -14.582 -9.792 4.413 1.00 0.00 N ATOM 20 CA SER A 3 -14.610 -10.363 3.071 1.00 0.00 C ATOM 21 C SER A 3 -15.343 -11.701 3.066 1.00 0.00 C ATOM 22 O SER A 3 -16.226 -11.934 2.242 1.00 0.00 O ATOM 23 CB SER A 3 -13.187 -10.546 2.542 1.00 0.00 C ATOM 24 OG SER A 3 -12.381 -11.245 3.475 1.00 0.00 O ATOM 0 H SER A 3 -13.760 -10.045 4.962 1.00 0.00 H new ATOM 0 HA SER A 3 -15.146 -9.672 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.214 -11.092 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.745 -9.572 2.333 1.00 0.00 H new ATOM 0 HG SER A 3 -11.477 -11.350 3.112 1.00 0.00 H new ATOM 30 N GLY A 4 -14.969 -12.577 3.993 1.00 0.00 N ATOM 31 CA GLY A 4 -15.599 -13.881 4.079 1.00 0.00 C ATOM 32 C GLY A 4 -14.911 -14.916 3.210 1.00 0.00 C ATOM 33 O GLY A 4 -15.314 -15.146 2.070 1.00 0.00 O ATOM 0 H GLY A 4 -14.241 -12.407 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.590 -14.218 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.644 -13.797 3.780 1.00 0.00 H new ATOM 37 N SER A 5 -13.869 -15.541 3.750 1.00 0.00 N ATOM 38 CA SER A 5 -13.120 -16.553 3.015 1.00 0.00 C ATOM 39 C SER A 5 -14.064 -17.540 2.334 1.00 0.00 C ATOM 40 O SER A 5 -14.650 -18.405 2.985 1.00 0.00 O ATOM 41 CB SER A 5 -12.173 -17.300 3.955 1.00 0.00 C ATOM 42 OG SER A 5 -11.040 -17.788 3.257 1.00 0.00 O ATOM 0 H SER A 5 -13.525 -15.364 4.694 1.00 0.00 H new ATOM 0 HA SER A 5 -12.534 -16.049 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.851 -16.635 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.701 -18.131 4.423 1.00 0.00 H new ATOM 0 HG SER A 5 -10.450 -18.260 3.881 1.00 0.00 H new ATOM 48 N SER A 6 -14.206 -17.403 1.020 1.00 0.00 N ATOM 49 CA SER A 6 -15.081 -18.280 0.250 1.00 0.00 C ATOM 50 C SER A 6 -14.303 -19.465 -0.313 1.00 0.00 C ATOM 51 O SER A 6 -14.694 -20.618 -0.137 1.00 0.00 O ATOM 52 CB SER A 6 -15.743 -17.502 -0.889 1.00 0.00 C ATOM 53 OG SER A 6 -16.957 -16.908 -0.463 1.00 0.00 O ATOM 0 H SER A 6 -13.727 -16.693 0.466 1.00 0.00 H new ATOM 0 HA SER A 6 -15.854 -18.660 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.063 -16.730 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.937 -18.172 -1.727 1.00 0.00 H new ATOM 0 HG SER A 6 -17.359 -16.415 -1.209 1.00 0.00 H new ATOM 59 N GLY A 7 -13.199 -19.172 -0.993 1.00 0.00 N ATOM 60 CA GLY A 7 -12.383 -20.223 -1.572 1.00 0.00 C ATOM 61 C GLY A 7 -12.786 -20.552 -2.995 1.00 0.00 C ATOM 62 O GLY A 7 -13.971 -20.545 -3.328 1.00 0.00 O ATOM 0 H GLY A 7 -12.855 -18.225 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.337 -19.917 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.463 -21.120 -0.958 1.00 0.00 H new ATOM 66 N GLU A 8 -11.799 -20.839 -3.838 1.00 0.00 N ATOM 67 CA GLU A 8 -12.058 -21.170 -5.234 1.00 0.00 C ATOM 68 C GLU A 8 -12.136 -22.681 -5.430 1.00 0.00 C ATOM 69 O GLU A 8 -13.012 -23.183 -6.133 1.00 0.00 O ATOM 70 CB GLU A 8 -10.967 -20.583 -6.131 1.00 0.00 C ATOM 71 CG GLU A 8 -10.978 -19.065 -6.191 1.00 0.00 C ATOM 72 CD GLU A 8 -10.229 -18.430 -5.035 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.388 -19.121 -4.423 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.483 -17.243 -4.744 1.00 0.00 O ATOM 0 H GLU A 8 -10.813 -20.849 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.019 -20.736 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.994 -20.917 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.086 -20.979 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.532 -18.739 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.009 -18.712 -6.188 1.00 0.00 H new ATOM 81 N GLY A 9 -11.210 -23.402 -4.803 1.00 0.00 N ATOM 82 CA GLY A 9 -11.190 -24.848 -4.922 1.00 0.00 C ATOM 83 C GLY A 9 -9.793 -25.421 -4.785 1.00 0.00 C ATOM 84 O GLY A 9 -9.602 -26.470 -4.168 1.00 0.00 O ATOM 0 H GLY A 9 -10.474 -23.010 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.834 -25.282 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.605 -25.136 -5.888 1.00 0.00 H new ATOM 88 N LEU A 10 -8.815 -24.734 -5.364 1.00 0.00 N ATOM 89 CA LEU A 10 -7.427 -25.182 -5.306 1.00 0.00 C ATOM 90 C LEU A 10 -6.566 -24.188 -4.533 1.00 0.00 C ATOM 91 O LEU A 10 -6.637 -22.981 -4.763 1.00 0.00 O ATOM 92 CB LEU A 10 -6.871 -25.367 -6.718 1.00 0.00 C ATOM 93 CG LEU A 10 -7.588 -26.395 -7.593 1.00 0.00 C ATOM 94 CD1 LEU A 10 -6.920 -26.497 -8.956 1.00 0.00 C ATOM 95 CD2 LEU A 10 -7.614 -27.754 -6.908 1.00 0.00 C ATOM 0 H LEU A 10 -8.957 -23.865 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.401 -26.139 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.899 -24.404 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.823 -25.655 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.616 -26.063 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.445 -27.234 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.954 -25.527 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.882 -26.804 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.128 -28.473 -7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.593 -28.092 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.139 -27.672 -5.957 1.00 0.00 H new ATOM 107 N ASP A 11 -5.752 -24.704 -3.619 1.00 0.00 N ATOM 108 CA ASP A 11 -4.874 -23.862 -2.815 1.00 0.00 C ATOM 109 C ASP A 11 -3.529 -23.664 -3.506 1.00 0.00 C ATOM 110 O ASP A 11 -2.493 -23.552 -2.850 1.00 0.00 O ATOM 111 CB ASP A 11 -4.665 -24.481 -1.432 1.00 0.00 C ATOM 112 CG ASP A 11 -5.940 -25.068 -0.861 1.00 0.00 C ATOM 113 OD1 ASP A 11 -6.381 -26.126 -1.357 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.498 -24.470 0.083 1.00 0.00 O ATOM 0 H ASP A 11 -5.682 -25.701 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.350 -22.888 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.907 -25.261 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.282 -23.721 -0.751 1.00 0.00 H new ATOM 119 N TYR A 12 -3.552 -23.622 -4.834 1.00 0.00 N ATOM 120 CA TYR A 12 -2.334 -23.441 -5.614 1.00 0.00 C ATOM 121 C TYR A 12 -2.010 -21.960 -5.782 1.00 0.00 C ATOM 122 O TYR A 12 -1.939 -21.451 -6.902 1.00 0.00 O ATOM 123 CB TYR A 12 -2.479 -24.102 -6.986 1.00 0.00 C ATOM 124 CG TYR A 12 -3.384 -23.343 -7.931 1.00 0.00 C ATOM 125 CD1 TYR A 12 -4.226 -22.341 -7.463 1.00 0.00 C ATOM 126 CD2 TYR A 12 -3.398 -23.629 -9.290 1.00 0.00 C ATOM 127 CE1 TYR A 12 -5.055 -21.646 -8.322 1.00 0.00 C ATOM 128 CE2 TYR A 12 -4.223 -22.938 -10.157 1.00 0.00 C ATOM 129 CZ TYR A 12 -5.049 -21.948 -9.668 1.00 0.00 C ATOM 130 OH TYR A 12 -5.873 -21.258 -10.528 1.00 0.00 O ATOM 0 H TYR A 12 -4.401 -23.711 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.514 -23.915 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.493 -24.198 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.869 -25.111 -6.854 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.232 -22.102 -6.410 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.753 -24.405 -9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.704 -20.871 -7.942 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.221 -23.172 -11.211 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.746 -21.592 -11.441 1.00 0.00 H new ATOM 140 N LEU A 13 -1.815 -21.273 -4.662 1.00 0.00 N ATOM 141 CA LEU A 13 -1.498 -19.849 -4.683 1.00 0.00 C ATOM 142 C LEU A 13 -2.400 -19.104 -5.662 1.00 0.00 C ATOM 143 O LEU A 13 -1.946 -18.228 -6.399 1.00 0.00 O ATOM 144 CB LEU A 13 -0.031 -19.639 -5.063 1.00 0.00 C ATOM 145 CG LEU A 13 0.637 -18.385 -4.496 1.00 0.00 C ATOM 146 CD1 LEU A 13 2.111 -18.352 -4.866 1.00 0.00 C ATOM 147 CD2 LEU A 13 -0.069 -17.133 -4.995 1.00 0.00 C ATOM 0 H LEU A 13 -1.871 -21.679 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.670 -19.449 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.537 -20.509 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.040 -19.604 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 13 0.557 -18.414 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.569 -17.453 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.608 -19.232 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.214 -18.347 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.420 -16.251 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.021 -17.098 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.112 -17.152 -4.678 1.00 0.00 H new ATOM 159 N THR A 14 -3.681 -19.458 -5.664 1.00 0.00 N ATOM 160 CA THR A 14 -4.648 -18.823 -6.551 1.00 0.00 C ATOM 161 C THR A 14 -4.338 -17.341 -6.732 1.00 0.00 C ATOM 162 O THR A 14 -4.329 -16.832 -7.852 1.00 0.00 O ATOM 163 CB THR A 14 -6.085 -18.974 -6.017 1.00 0.00 C ATOM 164 OG1 THR A 14 -6.899 -17.896 -6.490 1.00 0.00 O ATOM 165 CG2 THR A 14 -6.097 -18.996 -4.496 1.00 0.00 C ATOM 0 H THR A 14 -4.073 -20.181 -5.061 1.00 0.00 H new ATOM 0 HA THR A 14 -4.572 -19.328 -7.514 1.00 0.00 H new ATOM 0 HB THR A 14 -6.487 -19.919 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.811 -18.000 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.122 -19.103 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.500 -19.836 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.677 -18.065 -4.115 1.00 0.00 H new ATOM 173 N ALA A 15 -4.085 -16.655 -5.623 1.00 0.00 N ATOM 174 CA ALA A 15 -3.771 -15.232 -5.659 1.00 0.00 C ATOM 175 C ALA A 15 -3.196 -14.762 -4.328 1.00 0.00 C ATOM 176 O ALA A 15 -3.334 -15.421 -3.297 1.00 0.00 O ATOM 177 CB ALA A 15 -5.013 -14.427 -6.013 1.00 0.00 C ATOM 0 H ALA A 15 -4.091 -17.062 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.015 -15.072 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.764 -13.366 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.380 -14.735 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.786 -14.602 -5.264 1.00 0.00 H new ATOM 183 N PRO A 16 -2.534 -13.596 -4.347 1.00 0.00 N ATOM 184 CA PRO A 16 -1.923 -13.012 -3.149 1.00 0.00 C ATOM 185 C PRO A 16 -2.965 -12.516 -2.151 1.00 0.00 C ATOM 186 O PRO A 16 -4.043 -12.067 -2.537 1.00 0.00 O ATOM 187 CB PRO A 16 -1.110 -11.838 -3.701 1.00 0.00 C ATOM 188 CG PRO A 16 -1.790 -11.472 -4.975 1.00 0.00 C ATOM 189 CD PRO A 16 -2.330 -12.757 -5.540 1.00 0.00 C ATOM 0 HA PRO A 16 -1.326 -13.740 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.100 -11.001 -3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.072 -12.122 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.593 -10.756 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.092 -11.003 -5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.262 -12.597 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.629 -13.215 -6.238 1.00 0.00 H new ATOM 197 N ASN A 17 -2.634 -12.600 -0.867 1.00 0.00 N ATOM 198 CA ASN A 17 -3.541 -12.160 0.187 1.00 0.00 C ATOM 199 C ASN A 17 -3.615 -10.637 0.239 1.00 0.00 C ATOM 200 O ASN A 17 -2.623 -9.935 0.043 1.00 0.00 O ATOM 201 CB ASN A 17 -3.086 -12.706 1.542 1.00 0.00 C ATOM 202 CG ASN A 17 -3.137 -14.221 1.601 1.00 0.00 C ATOM 203 OD1 ASN A 17 -3.087 -14.895 0.573 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.239 -14.762 2.809 1.00 0.00 N ATOM 0 H ASN A 17 -1.744 -12.969 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.535 -12.548 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.068 -12.371 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.718 -12.293 2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.279 -15.776 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.277 -14.164 3.634 1.00 0.00 H new ATOM 211 N PRO A 18 -4.820 -10.112 0.510 1.00 0.00 N ATOM 212 CA PRO A 18 -5.053 -8.668 0.595 1.00 0.00 C ATOM 213 C PRO A 18 -4.398 -8.046 1.824 1.00 0.00 C ATOM 214 O PRO A 18 -4.682 -8.417 2.963 1.00 0.00 O ATOM 215 CB PRO A 18 -6.577 -8.559 0.690 1.00 0.00 C ATOM 216 CG PRO A 18 -7.014 -9.860 1.270 1.00 0.00 C ATOM 217 CD PRO A 18 -6.047 -10.889 0.754 1.00 0.00 C ATOM 0 HA PRO A 18 -4.626 -8.136 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.876 -7.723 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.024 -8.392 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.002 -9.825 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.034 -10.098 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.881 -11.684 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.412 -11.361 -0.158 1.00 0.00 H new ATOM 225 N PRO A 19 -3.499 -7.079 1.591 1.00 0.00 N ATOM 226 CA PRO A 19 -2.785 -6.385 2.667 1.00 0.00 C ATOM 227 C PRO A 19 -3.702 -5.474 3.477 1.00 0.00 C ATOM 228 O PRO A 19 -4.627 -4.869 2.936 1.00 0.00 O ATOM 229 CB PRO A 19 -1.734 -5.559 1.921 1.00 0.00 C ATOM 230 CG PRO A 19 -2.310 -5.351 0.563 1.00 0.00 C ATOM 231 CD PRO A 19 -3.111 -6.587 0.258 1.00 0.00 C ATOM 0 HA PRO A 19 -2.363 -7.081 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.548 -4.609 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.780 -6.084 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.940 -4.462 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.523 -5.204 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.983 -6.360 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.521 -7.324 -0.286 1.00 0.00 H new ATOM 239 N SER A 20 -3.438 -5.381 4.776 1.00 0.00 N ATOM 240 CA SER A 20 -4.241 -4.546 5.662 1.00 0.00 C ATOM 241 C SER A 20 -3.511 -3.248 5.995 1.00 0.00 C ATOM 242 O SER A 20 -2.440 -3.264 6.602 1.00 0.00 O ATOM 243 CB SER A 20 -4.573 -5.303 6.949 1.00 0.00 C ATOM 244 OG SER A 20 -5.788 -6.021 6.820 1.00 0.00 O ATOM 0 H SER A 20 -2.674 -5.874 5.239 1.00 0.00 H new ATOM 0 HA SER A 20 -5.168 -4.298 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.763 -5.992 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.649 -4.600 7.779 1.00 0.00 H new ATOM 0 HG SER A 20 -5.977 -6.497 7.655 1.00 0.00 H new ATOM 250 N ILE A 21 -4.099 -2.126 5.593 1.00 0.00 N ATOM 251 CA ILE A 21 -3.506 -0.820 5.849 1.00 0.00 C ATOM 252 C ILE A 21 -3.831 -0.335 7.258 1.00 0.00 C ATOM 253 O ILE A 21 -4.946 0.111 7.530 1.00 0.00 O ATOM 254 CB ILE A 21 -3.995 0.229 4.832 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.583 -0.173 3.414 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.441 1.603 5.181 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.252 0.649 2.335 1.00 0.00 C ATOM 0 H ILE A 21 -4.985 -2.096 5.089 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.427 -0.938 5.748 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.083 0.276 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.502 -0.075 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.822 -1.225 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.795 2.334 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.779 1.889 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.352 1.571 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.913 0.309 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.333 0.531 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.992 1.700 2.464 1.00 0.00 H new ATOM 269 N ARG A 22 -2.850 -0.425 8.149 1.00 0.00 N ATOM 270 CA ARG A 22 -3.031 0.005 9.531 1.00 0.00 C ATOM 271 C ARG A 22 -3.036 1.528 9.630 1.00 0.00 C ATOM 272 O ARG A 22 -2.104 2.191 9.178 1.00 0.00 O ATOM 273 CB ARG A 22 -1.924 -0.571 10.416 1.00 0.00 C ATOM 274 CG ARG A 22 -1.818 -2.086 10.350 1.00 0.00 C ATOM 275 CD ARG A 22 -2.832 -2.755 11.264 1.00 0.00 C ATOM 276 NE ARG A 22 -2.311 -2.941 12.616 1.00 0.00 N ATOM 277 CZ ARG A 22 -3.064 -3.297 13.651 1.00 0.00 C ATOM 278 NH1 ARG A 22 -4.364 -3.505 13.489 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.517 -3.446 14.851 1.00 0.00 N ATOM 0 H ARG A 22 -1.922 -0.792 7.939 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.995 -0.368 9.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.970 -0.135 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.104 -0.272 11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.976 -2.419 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.812 -2.394 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.738 -2.150 11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.113 -3.722 10.847 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.315 -2.789 12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.788 -3.392 12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.940 -3.778 14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.518 -3.287 14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.096 -3.719 15.645 1.00 0.00 H new ATOM 293 N GLU A 23 -4.093 2.073 10.224 1.00 0.00 N ATOM 294 CA GLU A 23 -4.219 3.517 10.381 1.00 0.00 C ATOM 295 C GLU A 23 -3.551 3.985 11.671 1.00 0.00 C ATOM 296 O GLU A 23 -3.239 5.165 11.827 1.00 0.00 O ATOM 297 CB GLU A 23 -5.694 3.926 10.381 1.00 0.00 C ATOM 298 CG GLU A 23 -6.410 3.621 9.076 1.00 0.00 C ATOM 299 CD GLU A 23 -7.890 3.353 9.271 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.634 4.315 9.552 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.303 2.182 9.143 1.00 0.00 O ATOM 0 H GLU A 23 -4.873 1.537 10.604 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.717 3.993 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.205 3.412 11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.766 4.994 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.284 4.460 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.946 2.754 8.606 1.00 0.00 H new ATOM 308 N GLU A 24 -3.334 3.050 12.591 1.00 0.00 N ATOM 309 CA GLU A 24 -2.704 3.367 13.867 1.00 0.00 C ATOM 310 C GLU A 24 -1.187 3.443 13.721 1.00 0.00 C ATOM 311 O GLU A 24 -0.507 4.090 14.519 1.00 0.00 O ATOM 312 CB GLU A 24 -3.075 2.319 14.918 1.00 0.00 C ATOM 313 CG GLU A 24 -2.354 0.994 14.737 1.00 0.00 C ATOM 314 CD GLU A 24 -2.237 0.212 16.030 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.245 -0.391 16.453 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.136 0.202 16.620 1.00 0.00 O ATOM 0 H GLU A 24 -3.585 2.068 12.476 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.069 4.341 14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.849 2.714 15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.151 2.146 14.882 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.886 0.393 14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.357 1.179 14.337 1.00 0.00 H new ATOM 323 N LEU A 25 -0.664 2.778 12.697 1.00 0.00 N ATOM 324 CA LEU A 25 0.773 2.768 12.445 1.00 0.00 C ATOM 325 C LEU A 25 1.151 3.818 11.405 1.00 0.00 C ATOM 326 O LEU A 25 2.255 4.363 11.431 1.00 0.00 O ATOM 327 CB LEU A 25 1.219 1.383 11.974 1.00 0.00 C ATOM 328 CG LEU A 25 0.688 0.197 12.780 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.051 -1.115 12.101 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.230 0.232 14.201 1.00 0.00 C ATOM 0 H LEU A 25 -1.213 2.239 12.028 1.00 0.00 H new ATOM 0 HA LEU A 25 1.282 3.008 13.378 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.912 1.258 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.308 1.349 11.990 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.399 0.271 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.665 -1.948 12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.613 -1.141 11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.135 -1.197 12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.841 -0.619 14.760 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.319 0.184 14.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.919 1.157 14.686 1.00 0.00 H new ATOM 342 N CYS A 26 0.227 4.098 10.493 1.00 0.00 N ATOM 343 CA CYS A 26 0.462 5.084 9.444 1.00 0.00 C ATOM 344 C CYS A 26 0.646 6.476 10.038 1.00 0.00 C ATOM 345 O CYS A 26 0.023 6.823 11.042 1.00 0.00 O ATOM 346 CB CYS A 26 -0.701 5.089 8.450 1.00 0.00 C ATOM 347 SG CYS A 26 -2.146 6.021 9.010 1.00 0.00 S ATOM 0 H CYS A 26 -0.692 3.656 10.459 1.00 0.00 H new ATOM 0 HA CYS A 26 1.377 4.809 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.356 5.508 7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.000 4.060 8.252 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.387 5.740 10.256 1.00 0.00 H new ATOM 353 N THR A 27 1.507 7.272 9.411 1.00 0.00 N ATOM 354 CA THR A 27 1.775 8.626 9.879 1.00 0.00 C ATOM 355 C THR A 27 1.462 9.654 8.798 1.00 0.00 C ATOM 356 O THR A 27 1.547 9.360 7.606 1.00 0.00 O ATOM 357 CB THR A 27 3.244 8.789 10.316 1.00 0.00 C ATOM 358 OG1 THR A 27 4.114 8.560 9.202 1.00 0.00 O ATOM 359 CG2 THR A 27 3.584 7.822 11.440 1.00 0.00 C ATOM 0 H THR A 27 2.030 7.002 8.578 1.00 0.00 H new ATOM 0 HA THR A 27 1.126 8.797 10.738 1.00 0.00 H new ATOM 0 HB THR A 27 3.382 9.807 10.680 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.046 8.667 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.626 7.955 11.732 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.939 8.018 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.431 6.798 11.098 1.00 0.00 H new ATOM 367 N ALA A 28 1.099 10.860 9.222 1.00 0.00 N ATOM 368 CA ALA A 28 0.775 11.932 8.289 1.00 0.00 C ATOM 369 C ALA A 28 1.655 13.154 8.530 1.00 0.00 C ATOM 370 O ALA A 28 1.904 13.536 9.674 1.00 0.00 O ATOM 371 CB ALA A 28 -0.695 12.307 8.404 1.00 0.00 C ATOM 0 H ALA A 28 1.022 11.119 10.206 1.00 0.00 H new ATOM 0 HA ALA A 28 0.968 11.571 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.922 13.109 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.311 11.438 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.906 12.644 9.419 1.00 0.00 H new ATOM 377 N SER A 29 2.124 13.764 7.446 1.00 0.00 N ATOM 378 CA SER A 29 2.980 14.941 7.541 1.00 0.00 C ATOM 379 C SER A 29 2.536 16.016 6.554 1.00 0.00 C ATOM 380 O SER A 29 1.780 15.745 5.621 1.00 0.00 O ATOM 381 CB SER A 29 4.438 14.560 7.276 1.00 0.00 C ATOM 382 OG SER A 29 5.325 15.470 7.904 1.00 0.00 O ATOM 0 H SER A 29 1.926 13.463 6.492 1.00 0.00 H new ATOM 0 HA SER A 29 2.895 15.342 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.626 13.551 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.625 14.548 6.202 1.00 0.00 H new ATOM 0 HG SER A 29 5.131 16.380 7.597 1.00 0.00 H new ATOM 388 N HIS A 30 3.012 17.239 6.767 1.00 0.00 N ATOM 389 CA HIS A 30 2.666 18.357 5.897 1.00 0.00 C ATOM 390 C HIS A 30 2.709 17.937 4.430 1.00 0.00 C ATOM 391 O HIS A 30 1.683 17.915 3.750 1.00 0.00 O ATOM 392 CB HIS A 30 3.619 19.529 6.133 1.00 0.00 C ATOM 393 CG HIS A 30 5.037 19.109 6.372 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.468 18.558 7.559 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.123 19.161 5.566 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.759 18.291 7.475 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.181 18.647 6.275 1.00 0.00 N ATOM 0 H HIS A 30 3.638 17.481 7.535 1.00 0.00 H new ATOM 0 HA HIS A 30 1.650 18.672 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.586 20.193 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.269 20.104 6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.152 19.537 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.366 17.856 8.255 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.137 18.555 5.931 1.00 0.00 H new ATOM 406 N ASP A 31 3.903 17.607 3.950 1.00 0.00 N ATOM 407 CA ASP A 31 4.080 17.188 2.565 1.00 0.00 C ATOM 408 C ASP A 31 4.657 15.777 2.493 1.00 0.00 C ATOM 409 O ASP A 31 5.449 15.462 1.604 1.00 0.00 O ATOM 410 CB ASP A 31 4.997 18.165 1.827 1.00 0.00 C ATOM 411 CG ASP A 31 4.472 19.587 1.858 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.623 19.925 1.007 1.00 0.00 O ATOM 413 OD2 ASP A 31 4.909 20.361 2.735 1.00 0.00 O ATOM 0 H ASP A 31 4.762 17.622 4.500 1.00 0.00 H new ATOM 0 HA ASP A 31 3.102 17.186 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.990 18.137 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.107 17.844 0.791 1.00 0.00 H new ATOM 418 N THR A 32 4.257 14.931 3.437 1.00 0.00 N ATOM 419 CA THR A 32 4.735 13.555 3.483 1.00 0.00 C ATOM 420 C THR A 32 3.810 12.679 4.320 1.00 0.00 C ATOM 421 O THR A 32 3.211 13.143 5.290 1.00 0.00 O ATOM 422 CB THR A 32 6.161 13.475 4.060 1.00 0.00 C ATOM 423 OG1 THR A 32 6.880 14.676 3.759 1.00 0.00 O ATOM 424 CG2 THR A 32 6.907 12.276 3.495 1.00 0.00 C ATOM 0 H THR A 32 3.603 15.175 4.180 1.00 0.00 H new ATOM 0 HA THR A 32 4.745 13.190 2.456 1.00 0.00 H new ATOM 0 HB THR A 32 6.085 13.359 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.785 14.617 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.911 12.241 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.373 11.361 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.972 12.366 2.411 1.00 0.00 H new ATOM 432 N ILE A 33 3.699 11.411 3.938 1.00 0.00 N ATOM 433 CA ILE A 33 2.848 10.470 4.655 1.00 0.00 C ATOM 434 C ILE A 33 3.399 9.051 4.565 1.00 0.00 C ATOM 435 O ILE A 33 3.780 8.588 3.489 1.00 0.00 O ATOM 436 CB ILE A 33 1.408 10.485 4.110 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.809 11.888 4.227 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.549 9.474 4.855 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.494 12.054 3.477 1.00 0.00 C ATOM 0 H ILE A 33 4.188 11.012 3.136 1.00 0.00 H new ATOM 0 HA ILE A 33 2.836 10.787 5.698 1.00 0.00 H new ATOM 0 HB ILE A 33 1.432 10.207 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.644 12.117 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.530 12.614 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.466 9.497 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.967 8.476 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.530 9.724 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.860 13.073 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.332 11.857 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.231 11.352 3.868 1.00 0.00 H new ATOM 451 N THR A 34 3.437 8.363 5.702 1.00 0.00 N ATOM 452 CA THR A 34 3.941 6.996 5.751 1.00 0.00 C ATOM 453 C THR A 34 2.811 6.003 5.996 1.00 0.00 C ATOM 454 O THR A 34 2.140 6.051 7.027 1.00 0.00 O ATOM 455 CB THR A 34 5.004 6.829 6.854 1.00 0.00 C ATOM 456 OG1 THR A 34 5.917 7.932 6.826 1.00 0.00 O ATOM 457 CG2 THR A 34 5.769 5.526 6.675 1.00 0.00 C ATOM 0 H THR A 34 3.125 8.730 6.601 1.00 0.00 H new ATOM 0 HA THR A 34 4.397 6.792 4.783 1.00 0.00 H new ATOM 0 HB THR A 34 4.495 6.804 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.704 8.552 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.514 5.430 7.465 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.075 4.687 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.267 5.527 5.705 1.00 0.00 H new ATOM 465 N VAL A 35 2.605 5.101 5.041 1.00 0.00 N ATOM 466 CA VAL A 35 1.557 4.094 5.153 1.00 0.00 C ATOM 467 C VAL A 35 2.141 2.729 5.501 1.00 0.00 C ATOM 468 O VAL A 35 3.074 2.257 4.850 1.00 0.00 O ATOM 469 CB VAL A 35 0.749 3.977 3.847 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.382 2.973 4.007 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.211 5.337 3.430 1.00 0.00 C ATOM 0 H VAL A 35 3.151 5.048 4.181 1.00 0.00 H new ATOM 0 HA VAL A 35 0.893 4.417 5.955 1.00 0.00 H new ATOM 0 HB VAL A 35 1.413 3.618 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.942 2.904 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.032 1.996 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.048 3.299 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.357 5.236 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.438 5.727 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.042 6.024 3.271 1.00 0.00 H new ATOM 481 N HIS A 36 1.586 2.099 6.531 1.00 0.00 N ATOM 482 CA HIS A 36 2.051 0.786 6.965 1.00 0.00 C ATOM 483 C HIS A 36 1.022 -0.291 6.636 1.00 0.00 C ATOM 484 O HIS A 36 -0.147 -0.181 7.008 1.00 0.00 O ATOM 485 CB HIS A 36 2.336 0.794 8.467 1.00 0.00 C ATOM 486 CG HIS A 36 3.541 1.600 8.844 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.518 1.137 9.699 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.924 2.845 8.475 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.450 2.063 9.841 1.00 0.00 C ATOM 490 NE2 HIS A 36 5.113 3.109 9.109 1.00 0.00 N ATOM 0 H HIS A 36 0.814 2.476 7.081 1.00 0.00 H new ATOM 0 HA HIS A 36 2.972 0.559 6.429 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.466 1.189 8.991 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.474 -0.232 8.808 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.393 3.507 7.807 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.337 1.979 10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.649 3.973 9.028 1.00 0.00 H new ATOM 499 N TRP A 37 1.463 -1.330 5.937 1.00 0.00 N ATOM 500 CA TRP A 37 0.580 -2.427 5.558 1.00 0.00 C ATOM 501 C TRP A 37 1.019 -3.731 6.213 1.00 0.00 C ATOM 502 O TRP A 37 2.193 -4.098 6.162 1.00 0.00 O ATOM 503 CB TRP A 37 0.557 -2.588 4.037 1.00 0.00 C ATOM 504 CG TRP A 37 1.922 -2.563 3.417 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.762 -3.625 3.241 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.603 -1.418 2.892 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.925 -3.209 2.639 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.852 -1.860 2.414 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.279 -0.064 2.778 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.775 -0.995 1.833 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.197 0.794 2.201 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.432 0.326 1.734 1.00 0.00 C ATOM 0 H TRP A 37 2.427 -1.436 5.621 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.425 -2.188 5.906 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.069 -3.529 3.786 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.046 -1.790 3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.544 -4.642 3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.715 -3.808 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.329 0.306 3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.728 -1.354 1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.958 1.843 2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.127 1.021 1.287 1.00 0.00 H new ATOM 523 N ILE A 38 0.069 -4.428 6.828 1.00 0.00 N ATOM 524 CA ILE A 38 0.360 -5.693 7.493 1.00 0.00 C ATOM 525 C ILE A 38 -0.145 -6.874 6.671 1.00 0.00 C ATOM 526 O ILE A 38 -1.286 -6.879 6.208 1.00 0.00 O ATOM 527 CB ILE A 38 -0.273 -5.750 8.896 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.159 -7.026 9.622 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.790 -5.678 8.796 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.448 -6.872 10.398 1.00 0.00 C ATOM 0 H ILE A 38 -0.908 -4.139 6.880 1.00 0.00 H new ATOM 0 HA ILE A 38 1.444 -5.757 7.590 1.00 0.00 H new ATOM 0 HB ILE A 38 0.074 -4.892 9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.633 -7.331 10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.277 -7.827 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.223 -5.719 9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.079 -4.744 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.156 -6.519 8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.693 -7.815 10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.253 -6.597 9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.328 -6.093 11.151 1.00 0.00 H new ATOM 542 N SER A 39 0.712 -7.875 6.495 1.00 0.00 N ATOM 543 CA SER A 39 0.354 -9.062 5.727 1.00 0.00 C ATOM 544 C SER A 39 0.881 -10.324 6.402 1.00 0.00 C ATOM 545 O SER A 39 1.972 -10.327 6.972 1.00 0.00 O ATOM 546 CB SER A 39 0.907 -8.961 4.304 1.00 0.00 C ATOM 547 OG SER A 39 0.287 -7.905 3.590 1.00 0.00 O ATOM 0 H SER A 39 1.659 -7.888 6.874 1.00 0.00 H new ATOM 0 HA SER A 39 -0.733 -9.122 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.984 -8.797 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.745 -9.903 3.780 1.00 0.00 H new ATOM 0 HG SER A 39 0.762 -7.758 2.745 1.00 0.00 H new ATOM 553 N ASP A 40 0.098 -11.396 6.332 1.00 0.00 N ATOM 554 CA ASP A 40 0.486 -12.666 6.934 1.00 0.00 C ATOM 555 C ASP A 40 1.399 -13.454 6.001 1.00 0.00 C ATOM 556 O ASP A 40 2.334 -14.119 6.447 1.00 0.00 O ATOM 557 CB ASP A 40 -0.755 -13.494 7.272 1.00 0.00 C ATOM 558 CG ASP A 40 -0.411 -14.914 7.676 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.314 -15.778 6.781 1.00 0.00 O ATOM 560 OD2 ASP A 40 -0.240 -15.161 8.889 1.00 0.00 O ATOM 0 H ASP A 40 -0.808 -11.410 5.865 1.00 0.00 H new ATOM 0 HA ASP A 40 1.033 -12.452 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.301 -13.011 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.420 -13.516 6.409 1.00 0.00 H new ATOM 565 N ASP A 41 1.122 -13.374 4.704 1.00 0.00 N ATOM 566 CA ASP A 41 1.919 -14.080 3.707 1.00 0.00 C ATOM 567 C ASP A 41 2.504 -13.105 2.690 1.00 0.00 C ATOM 568 O ASP A 41 1.856 -12.764 1.700 1.00 0.00 O ATOM 569 CB ASP A 41 1.068 -15.131 2.994 1.00 0.00 C ATOM 570 CG ASP A 41 0.329 -16.033 3.963 1.00 0.00 C ATOM 571 OD1 ASP A 41 0.912 -17.051 4.389 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.834 -15.720 4.295 1.00 0.00 O ATOM 0 H ASP A 41 0.352 -12.828 4.318 1.00 0.00 H new ATOM 0 HA ASP A 41 2.741 -14.578 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.348 -14.632 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.707 -15.738 2.353 1.00 0.00 H new ATOM 577 N GLU A 42 3.731 -12.660 2.941 1.00 0.00 N ATOM 578 CA GLU A 42 4.401 -11.723 2.047 1.00 0.00 C ATOM 579 C GLU A 42 5.730 -12.293 1.559 1.00 0.00 C ATOM 580 O GLU A 42 6.614 -11.553 1.128 1.00 0.00 O ATOM 581 CB GLU A 42 4.636 -10.387 2.756 1.00 0.00 C ATOM 582 CG GLU A 42 5.699 -10.452 3.840 1.00 0.00 C ATOM 583 CD GLU A 42 6.218 -9.081 4.229 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.110 -8.563 3.526 1.00 0.00 O ATOM 585 OE2 GLU A 42 5.732 -8.528 5.238 1.00 0.00 O ATOM 0 H GLU A 42 4.281 -12.933 3.755 1.00 0.00 H new ATOM 0 HA GLU A 42 3.756 -11.560 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.927 -9.640 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.698 -10.050 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.285 -10.943 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.530 -11.066 3.493 1.00 0.00 H new ATOM 592 N PHE A 43 5.863 -13.613 1.630 1.00 0.00 N ATOM 593 CA PHE A 43 7.084 -14.283 1.198 1.00 0.00 C ATOM 594 C PHE A 43 7.003 -14.661 -0.278 1.00 0.00 C ATOM 595 O PHE A 43 8.023 -14.785 -0.955 1.00 0.00 O ATOM 596 CB PHE A 43 7.332 -15.533 2.043 1.00 0.00 C ATOM 597 CG PHE A 43 7.580 -15.236 3.495 1.00 0.00 C ATOM 598 CD1 PHE A 43 6.521 -15.075 4.373 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.872 -15.118 3.980 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.745 -14.802 5.709 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.103 -14.845 5.315 1.00 0.00 C ATOM 602 CZ PHE A 43 8.038 -14.686 6.181 1.00 0.00 C ATOM 0 H PHE A 43 5.140 -14.240 1.983 1.00 0.00 H new ATOM 0 HA PHE A 43 7.915 -13.591 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.471 -16.196 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.190 -16.071 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.508 -15.164 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.708 -15.241 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.910 -14.679 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.115 -14.756 5.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.216 -14.472 7.224 1.00 0.00 H new ATOM 612 N SER A 44 5.781 -14.844 -0.770 1.00 0.00 N ATOM 613 CA SER A 44 5.566 -15.212 -2.164 1.00 0.00 C ATOM 614 C SER A 44 5.490 -13.971 -3.049 1.00 0.00 C ATOM 615 O SER A 44 6.082 -13.928 -4.128 1.00 0.00 O ATOM 616 CB SER A 44 4.281 -16.032 -2.304 1.00 0.00 C ATOM 617 OG SER A 44 4.314 -17.178 -1.472 1.00 0.00 O ATOM 0 H SER A 44 4.926 -14.743 -0.224 1.00 0.00 H new ATOM 0 HA SER A 44 6.413 -15.817 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.422 -15.414 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.152 -16.336 -3.343 1.00 0.00 H new ATOM 0 HG SER A 44 3.481 -17.684 -1.579 1.00 0.00 H new ATOM 623 N ILE A 45 4.758 -12.965 -2.583 1.00 0.00 N ATOM 624 CA ILE A 45 4.605 -11.723 -3.331 1.00 0.00 C ATOM 625 C ILE A 45 5.936 -11.268 -3.920 1.00 0.00 C ATOM 626 O ILE A 45 6.907 -11.054 -3.194 1.00 0.00 O ATOM 627 CB ILE A 45 4.038 -10.598 -2.444 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.663 -10.991 -1.902 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.953 -9.298 -3.228 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.128 -10.034 -0.860 1.00 0.00 C ATOM 0 H ILE A 45 4.262 -12.985 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 45 3.903 -11.926 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 45 4.711 -10.447 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.957 -11.045 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.724 -11.990 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.551 -8.513 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.948 -9.013 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.299 -9.435 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.150 -10.375 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.813 -9.998 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.034 -9.039 -1.294 1.00 0.00 H new ATOM 642 N SER A 46 5.973 -11.122 -5.240 1.00 0.00 N ATOM 643 CA SER A 46 7.186 -10.694 -5.928 1.00 0.00 C ATOM 644 C SER A 46 7.540 -9.256 -5.562 1.00 0.00 C ATOM 645 O SER A 46 8.695 -8.944 -5.273 1.00 0.00 O ATOM 646 CB SER A 46 7.009 -10.818 -7.443 1.00 0.00 C ATOM 647 OG SER A 46 7.200 -12.155 -7.871 1.00 0.00 O ATOM 0 H SER A 46 5.177 -11.294 -5.855 1.00 0.00 H new ATOM 0 HA SER A 46 8.002 -11.343 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.011 -10.482 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.720 -10.166 -7.950 1.00 0.00 H new ATOM 0 HG SER A 46 7.080 -12.208 -8.842 1.00 0.00 H new ATOM 653 N SER A 47 6.537 -8.384 -5.577 1.00 0.00 N ATOM 654 CA SER A 47 6.741 -6.978 -5.250 1.00 0.00 C ATOM 655 C SER A 47 5.425 -6.314 -4.859 1.00 0.00 C ATOM 656 O SER A 47 4.347 -6.775 -5.237 1.00 0.00 O ATOM 657 CB SER A 47 7.363 -6.242 -6.439 1.00 0.00 C ATOM 658 OG SER A 47 6.548 -6.358 -7.593 1.00 0.00 O ATOM 0 H SER A 47 5.575 -8.627 -5.812 1.00 0.00 H new ATOM 0 HA SER A 47 7.421 -6.923 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.498 -5.190 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.352 -6.650 -6.646 1.00 0.00 H new ATOM 0 HG SER A 47 6.966 -5.878 -8.338 1.00 0.00 H new ATOM 664 N TYR A 48 5.520 -5.230 -4.098 1.00 0.00 N ATOM 665 CA TYR A 48 4.337 -4.503 -3.651 1.00 0.00 C ATOM 666 C TYR A 48 4.143 -3.226 -4.465 1.00 0.00 C ATOM 667 O TYR A 48 5.105 -2.644 -4.964 1.00 0.00 O ATOM 668 CB TYR A 48 4.454 -4.161 -2.165 1.00 0.00 C ATOM 669 CG TYR A 48 3.872 -5.217 -1.253 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.503 -5.456 -1.219 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.690 -5.976 -0.425 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.967 -6.420 -0.387 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.162 -6.942 0.409 1.00 0.00 C ATOM 674 CZ TYR A 48 2.800 -7.161 0.424 1.00 0.00 C ATOM 675 OH TYR A 48 2.271 -8.122 1.255 1.00 0.00 O ATOM 0 H TYR A 48 6.404 -4.835 -3.777 1.00 0.00 H new ATOM 0 HA TYR A 48 3.469 -5.144 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.505 -4.017 -1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.949 -3.213 -1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.847 -4.878 -1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.757 -5.808 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.901 -6.592 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.812 -7.523 1.046 1.00 0.00 H new ATOM 0 HH TYR A 48 2.833 -8.209 2.053 1.00 0.00 H new ATOM 685 N GLU A 49 2.891 -2.798 -4.592 1.00 0.00 N ATOM 686 CA GLU A 49 2.570 -1.591 -5.344 1.00 0.00 C ATOM 687 C GLU A 49 1.806 -0.596 -4.476 1.00 0.00 C ATOM 688 O GLU A 49 0.811 -0.945 -3.839 1.00 0.00 O ATOM 689 CB GLU A 49 1.745 -1.941 -6.584 1.00 0.00 C ATOM 690 CG GLU A 49 1.902 -0.945 -7.721 1.00 0.00 C ATOM 691 CD GLU A 49 3.099 -1.248 -8.600 1.00 0.00 C ATOM 692 OE1 GLU A 49 4.151 -1.645 -8.057 1.00 0.00 O ATOM 693 OE2 GLU A 49 2.984 -1.087 -9.834 1.00 0.00 O ATOM 0 H GLU A 49 2.083 -3.269 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 49 3.506 -1.129 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.036 -2.931 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.693 -1.999 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.998 -0.949 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.004 0.059 -7.308 1.00 0.00 H new ATOM 700 N LEU A 50 2.279 0.646 -4.454 1.00 0.00 N ATOM 701 CA LEU A 50 1.642 1.693 -3.664 1.00 0.00 C ATOM 702 C LEU A 50 0.856 2.648 -4.557 1.00 0.00 C ATOM 703 O LEU A 50 1.420 3.289 -5.443 1.00 0.00 O ATOM 704 CB LEU A 50 2.692 2.470 -2.868 1.00 0.00 C ATOM 705 CG LEU A 50 2.162 3.354 -1.739 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.711 2.504 -0.562 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.221 4.355 -1.302 1.00 0.00 C ATOM 0 H LEU A 50 3.101 0.952 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 50 0.948 1.218 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.397 1.756 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.253 3.098 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 50 1.300 3.908 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.337 3.151 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.918 1.829 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.554 1.922 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.825 4.975 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.103 3.821 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.495 4.987 -2.147 1.00 0.00 H new ATOM 719 N GLN A 51 -0.448 2.737 -4.316 1.00 0.00 N ATOM 720 CA GLN A 51 -1.310 3.615 -5.098 1.00 0.00 C ATOM 721 C GLN A 51 -1.883 4.731 -4.230 1.00 0.00 C ATOM 722 O GLN A 51 -2.576 4.472 -3.246 1.00 0.00 O ATOM 723 CB GLN A 51 -2.447 2.813 -5.735 1.00 0.00 C ATOM 724 CG GLN A 51 -1.970 1.616 -6.541 1.00 0.00 C ATOM 725 CD GLN A 51 -3.004 1.137 -7.541 1.00 0.00 C ATOM 726 OE1 GLN A 51 -2.555 0.807 -8.746 1.00 0.00 O flip ATOM 727 NE2 GLN A 51 -4.195 1.064 -7.234 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.930 2.212 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.707 4.066 -5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.120 2.467 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.025 3.471 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.054 1.880 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.722 0.801 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.497 1.328 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.879 0.740 -7.918 1.00 0.00 H new ATOM 736 N TYR A 52 -1.588 5.972 -4.601 1.00 0.00 N ATOM 737 CA TYR A 52 -2.071 7.127 -3.854 1.00 0.00 C ATOM 738 C TYR A 52 -2.612 8.198 -4.797 1.00 0.00 C ATOM 739 O TYR A 52 -2.116 8.371 -5.911 1.00 0.00 O ATOM 740 CB TYR A 52 -0.949 7.710 -2.993 1.00 0.00 C ATOM 741 CG TYR A 52 0.197 8.281 -3.797 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.218 7.463 -4.266 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.258 9.638 -4.090 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.267 7.980 -5.000 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.303 10.164 -4.824 1.00 0.00 C ATOM 746 CZ TYR A 52 2.305 9.331 -5.277 1.00 0.00 C ATOM 747 OH TYR A 52 3.348 9.850 -6.010 1.00 0.00 O ATOM 0 H TYR A 52 -1.017 6.204 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.882 6.795 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.361 8.493 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.566 6.931 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.190 6.405 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.525 10.293 -3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.053 7.330 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.336 11.221 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 52 3.224 10.816 -6.117 1.00 0.00 H new ATOM 757 N THR A 53 -3.634 8.916 -4.342 1.00 0.00 N ATOM 758 CA THR A 53 -4.245 9.970 -5.143 1.00 0.00 C ATOM 759 C THR A 53 -4.995 10.964 -4.264 1.00 0.00 C ATOM 760 O THR A 53 -5.532 10.600 -3.218 1.00 0.00 O ATOM 761 CB THR A 53 -5.217 9.390 -6.187 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.548 10.390 -7.157 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.487 8.882 -5.521 1.00 0.00 C ATOM 0 H THR A 53 -4.056 8.787 -3.423 1.00 0.00 H new ATOM 0 HA THR A 53 -3.434 10.485 -5.659 1.00 0.00 H new ATOM 0 HB THR A 53 -4.726 8.553 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.165 10.013 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.158 8.477 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.234 8.100 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.980 9.704 -5.002 1.00 0.00 H new ATOM 771 N ILE A 54 -5.028 12.221 -4.695 1.00 0.00 N ATOM 772 CA ILE A 54 -5.714 13.267 -3.947 1.00 0.00 C ATOM 773 C ILE A 54 -7.226 13.070 -3.988 1.00 0.00 C ATOM 774 O ILE A 54 -7.797 12.782 -5.039 1.00 0.00 O ATOM 775 CB ILE A 54 -5.375 14.665 -4.495 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.885 14.962 -4.311 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.221 15.724 -3.804 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.382 16.090 -5.184 1.00 0.00 C ATOM 0 H ILE A 54 -4.588 12.539 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.368 13.196 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.601 14.686 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.699 15.211 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.313 14.060 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.970 16.707 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.277 15.519 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.023 15.705 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.319 16.245 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.536 15.835 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.928 17.004 -4.948 1.00 0.00 H new ATOM 790 N PHE A 55 -7.869 13.229 -2.836 1.00 0.00 N ATOM 791 CA PHE A 55 -9.315 13.069 -2.739 1.00 0.00 C ATOM 792 C PHE A 55 -9.995 14.413 -2.492 1.00 0.00 C ATOM 793 O PHE A 55 -9.733 15.080 -1.491 1.00 0.00 O ATOM 794 CB PHE A 55 -9.668 12.092 -1.615 1.00 0.00 C ATOM 795 CG PHE A 55 -11.146 11.906 -1.425 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.865 12.759 -0.603 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.816 10.878 -2.068 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.225 12.589 -0.426 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.176 10.703 -1.895 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.882 11.560 -1.074 1.00 0.00 C ATOM 0 H PHE A 55 -7.411 13.469 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.675 12.667 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.213 11.125 -1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.232 12.451 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.357 13.565 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.269 10.205 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.774 13.260 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.686 9.897 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.945 11.427 -0.939 1.00 0.00 H new ATOM 810 N THR A 56 -10.870 14.805 -3.413 1.00 0.00 N ATOM 811 CA THR A 56 -11.587 16.068 -3.298 1.00 0.00 C ATOM 812 C THR A 56 -13.092 15.860 -3.417 1.00 0.00 C ATOM 813 O THR A 56 -13.564 14.730 -3.534 1.00 0.00 O ATOM 814 CB THR A 56 -11.132 17.072 -4.374 1.00 0.00 C ATOM 815 OG1 THR A 56 -11.393 16.543 -5.679 1.00 0.00 O ATOM 816 CG2 THR A 56 -9.649 17.381 -4.235 1.00 0.00 C ATOM 0 H THR A 56 -11.099 14.265 -4.247 1.00 0.00 H new ATOM 0 HA THR A 56 -11.357 16.473 -2.313 1.00 0.00 H new ATOM 0 HB THR A 56 -11.694 17.996 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.102 17.188 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.352 18.092 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.457 17.811 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.074 16.462 -4.348 1.00 0.00 H new ATOM 824 N GLY A 57 -13.841 16.957 -3.387 1.00 0.00 N ATOM 825 CA GLY A 57 -15.286 16.872 -3.493 1.00 0.00 C ATOM 826 C GLY A 57 -15.753 16.691 -4.924 1.00 0.00 C ATOM 827 O GLY A 57 -16.444 17.550 -5.471 1.00 0.00 O ATOM 0 H GLY A 57 -13.473 17.904 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.643 16.038 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.731 17.777 -3.081 1.00 0.00 H new ATOM 831 N GLN A 58 -15.372 15.572 -5.531 1.00 0.00 N ATOM 832 CA GLN A 58 -15.755 15.282 -6.908 1.00 0.00 C ATOM 833 C GLN A 58 -16.870 14.243 -6.957 1.00 0.00 C ATOM 834 O GLN A 58 -17.282 13.712 -5.926 1.00 0.00 O ATOM 835 CB GLN A 58 -14.545 14.786 -7.702 1.00 0.00 C ATOM 836 CG GLN A 58 -13.662 15.906 -8.228 1.00 0.00 C ATOM 837 CD GLN A 58 -12.504 15.394 -9.062 1.00 0.00 C ATOM 838 OE1 GLN A 58 -11.339 15.638 -8.745 1.00 0.00 O ATOM 839 NE2 GLN A 58 -12.819 14.680 -10.136 1.00 0.00 N ATOM 0 H GLN A 58 -14.799 14.852 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.123 16.204 -7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.948 14.131 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.894 14.185 -8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.265 16.587 -8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.273 16.482 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.798 14.502 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.082 14.309 -10.736 1.00 0.00 H new ATOM 848 N ALA A 59 -17.355 13.959 -8.161 1.00 0.00 N ATOM 849 CA ALA A 59 -18.422 12.982 -8.344 1.00 0.00 C ATOM 850 C ALA A 59 -18.140 11.708 -7.555 1.00 0.00 C ATOM 851 O ALA A 59 -17.045 11.522 -7.028 1.00 0.00 O ATOM 852 CB ALA A 59 -18.598 12.663 -9.821 1.00 0.00 C ATOM 0 H ALA A 59 -17.026 14.391 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 59 -19.347 13.416 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -19.398 11.932 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -18.853 13.574 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.669 12.254 -10.218 1.00 0.00 H new ATOM 858 N ASN A 60 -19.138 10.833 -7.478 1.00 0.00 N ATOM 859 CA ASN A 60 -18.997 9.576 -6.753 1.00 0.00 C ATOM 860 C ASN A 60 -17.583 9.021 -6.895 1.00 0.00 C ATOM 861 O ASN A 60 -16.917 9.240 -7.906 1.00 0.00 O ATOM 862 CB ASN A 60 -20.013 8.552 -7.263 1.00 0.00 C ATOM 863 CG ASN A 60 -21.399 8.776 -6.690 1.00 0.00 C ATOM 864 OD1 ASN A 60 -21.855 9.913 -6.568 1.00 0.00 O ATOM 865 ND2 ASN A 60 -22.076 7.690 -6.335 1.00 0.00 N ATOM 0 H ASN A 60 -20.052 10.972 -7.909 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.187 9.771 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.060 8.602 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.674 7.549 -7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.014 7.779 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.658 6.767 -6.454 1.00 0.00 H new ATOM 872 N PHE A 61 -17.131 8.299 -5.874 1.00 0.00 N ATOM 873 CA PHE A 61 -15.797 7.712 -5.884 1.00 0.00 C ATOM 874 C PHE A 61 -15.583 6.869 -7.138 1.00 0.00 C ATOM 875 O PHE A 61 -14.567 7.000 -7.821 1.00 0.00 O ATOM 876 CB PHE A 61 -15.584 6.854 -4.636 1.00 0.00 C ATOM 877 CG PHE A 61 -14.210 6.253 -4.548 1.00 0.00 C ATOM 878 CD1 PHE A 61 -13.085 7.061 -4.542 1.00 0.00 C ATOM 879 CD2 PHE A 61 -14.045 4.879 -4.472 1.00 0.00 C ATOM 880 CE1 PHE A 61 -11.820 6.510 -4.462 1.00 0.00 C ATOM 881 CE2 PHE A 61 -12.782 4.322 -4.391 1.00 0.00 C ATOM 882 CZ PHE A 61 -11.668 5.139 -4.386 1.00 0.00 C ATOM 0 H PHE A 61 -17.670 8.107 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.070 8.524 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -15.762 7.464 -3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -16.323 6.053 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -13.198 8.134 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -14.913 4.236 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.951 7.151 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -12.667 3.250 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.680 4.707 -4.323 1.00 0.00 H new ATOM 892 N ILE A 62 -16.547 6.003 -7.432 1.00 0.00 N ATOM 893 CA ILE A 62 -16.465 5.138 -8.603 1.00 0.00 C ATOM 894 C ILE A 62 -15.933 5.900 -9.812 1.00 0.00 C ATOM 895 O ILE A 62 -15.044 5.422 -10.517 1.00 0.00 O ATOM 896 CB ILE A 62 -17.838 4.534 -8.953 1.00 0.00 C ATOM 897 CG1 ILE A 62 -18.438 3.835 -7.733 1.00 0.00 C ATOM 898 CG2 ILE A 62 -17.707 3.563 -10.117 1.00 0.00 C ATOM 899 CD1 ILE A 62 -17.474 2.899 -7.038 1.00 0.00 C ATOM 0 H ILE A 62 -17.393 5.882 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 62 -15.776 4.331 -8.353 1.00 0.00 H new ATOM 0 HB ILE A 62 -18.508 5.340 -9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -18.776 4.589 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -19.318 3.272 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -18.685 3.144 -10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -17.318 4.090 -10.988 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -17.024 2.758 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -17.967 2.438 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -17.155 2.123 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -16.604 3.460 -6.697 1.00 0.00 H new ATOM 911 N SER A 63 -16.481 7.088 -10.045 1.00 0.00 N ATOM 912 CA SER A 63 -16.064 7.915 -11.171 1.00 0.00 C ATOM 913 C SER A 63 -14.543 7.935 -11.295 1.00 0.00 C ATOM 914 O SER A 63 -13.977 7.354 -12.222 1.00 0.00 O ATOM 915 CB SER A 63 -16.592 9.341 -11.006 1.00 0.00 C ATOM 916 OG SER A 63 -17.989 9.398 -11.238 1.00 0.00 O ATOM 0 H SER A 63 -17.215 7.500 -9.469 1.00 0.00 H new ATOM 0 HA SER A 63 -16.480 7.484 -12.081 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.372 9.699 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.078 10.005 -11.700 1.00 0.00 H new ATOM 0 HG SER A 63 -18.302 10.320 -11.125 1.00 0.00 H new ATOM 922 N LEU A 64 -13.888 8.608 -10.356 1.00 0.00 N ATOM 923 CA LEU A 64 -12.432 8.705 -10.358 1.00 0.00 C ATOM 924 C LEU A 64 -11.794 7.320 -10.317 1.00 0.00 C ATOM 925 O LEU A 64 -10.946 6.991 -11.146 1.00 0.00 O ATOM 926 CB LEU A 64 -11.955 9.536 -9.166 1.00 0.00 C ATOM 927 CG LEU A 64 -10.470 9.417 -8.817 1.00 0.00 C ATOM 928 CD1 LEU A 64 -9.659 10.451 -9.582 1.00 0.00 C ATOM 929 CD2 LEU A 64 -10.261 9.575 -7.318 1.00 0.00 C ATOM 0 H LEU A 64 -14.342 9.095 -9.583 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.126 9.198 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.178 10.584 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.538 9.248 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.125 8.425 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.605 10.352 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.785 10.292 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.005 11.451 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.199 9.488 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.622 10.554 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.812 8.797 -6.790 1.00 0.00 H new ATOM 941 N TYR A 65 -12.209 6.512 -9.347 1.00 0.00 N ATOM 942 CA TYR A 65 -11.678 5.163 -9.197 1.00 0.00 C ATOM 943 C TYR A 65 -11.693 4.420 -10.530 1.00 0.00 C ATOM 944 O TYR A 65 -10.830 3.585 -10.797 1.00 0.00 O ATOM 945 CB TYR A 65 -12.489 4.386 -8.159 1.00 0.00 C ATOM 946 CG TYR A 65 -11.794 3.141 -7.656 1.00 0.00 C ATOM 947 CD1 TYR A 65 -10.455 3.170 -7.287 1.00 0.00 C ATOM 948 CD2 TYR A 65 -12.478 1.936 -7.547 1.00 0.00 C ATOM 949 CE1 TYR A 65 -9.816 2.034 -6.828 1.00 0.00 C ATOM 950 CE2 TYR A 65 -11.847 0.796 -7.088 1.00 0.00 C ATOM 951 CZ TYR A 65 -10.516 0.850 -6.729 1.00 0.00 C ATOM 952 OH TYR A 65 -9.883 -0.283 -6.271 1.00 0.00 O ATOM 0 H TYR A 65 -12.911 6.768 -8.653 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.645 5.242 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.702 5.040 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -13.448 4.106 -8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.904 4.096 -7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.520 1.890 -7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.774 2.073 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.393 -0.133 -7.011 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.517 -1.030 -6.261 1.00 0.00 H new ATOM 962 N ASN A 66 -12.680 4.732 -11.363 1.00 0.00 N ATOM 963 CA ASN A 66 -12.808 4.096 -12.669 1.00 0.00 C ATOM 964 C ASN A 66 -11.620 4.441 -13.561 1.00 0.00 C ATOM 965 O ASN A 66 -11.138 3.602 -14.322 1.00 0.00 O ATOM 966 CB ASN A 66 -14.111 4.528 -13.344 1.00 0.00 C ATOM 967 CG ASN A 66 -14.613 3.503 -14.343 1.00 0.00 C ATOM 968 OD1 ASN A 66 -13.858 3.021 -15.187 1.00 0.00 O ATOM 969 ND2 ASN A 66 -15.893 3.164 -14.249 1.00 0.00 N ATOM 0 H ASN A 66 -13.403 5.421 -11.157 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.825 3.016 -12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.874 4.693 -12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.956 5.480 -13.852 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.287 2.478 -14.893 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.482 3.590 -13.533 1.00 0.00 H new ATOM 976 N SER A 67 -11.154 5.682 -13.462 1.00 0.00 N ATOM 977 CA SER A 67 -10.024 6.140 -14.263 1.00 0.00 C ATOM 978 C SER A 67 -8.706 5.880 -13.540 1.00 0.00 C ATOM 979 O SER A 67 -7.830 6.744 -13.492 1.00 0.00 O ATOM 980 CB SER A 67 -10.163 7.631 -14.573 1.00 0.00 C ATOM 981 OG SER A 67 -10.744 8.327 -13.483 1.00 0.00 O ATOM 0 H SER A 67 -11.541 6.388 -12.836 1.00 0.00 H new ATOM 0 HA SER A 67 -10.022 5.580 -15.198 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.183 8.052 -14.796 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.778 7.765 -15.463 1.00 0.00 H new ATOM 0 HG SER A 67 -10.499 7.884 -12.644 1.00 0.00 H new ATOM 987 N VAL A 68 -8.571 4.682 -12.980 1.00 0.00 N ATOM 988 CA VAL A 68 -7.360 4.306 -12.260 1.00 0.00 C ATOM 989 C VAL A 68 -6.127 4.457 -13.144 1.00 0.00 C ATOM 990 O VAL A 68 -4.996 4.426 -12.659 1.00 0.00 O ATOM 991 CB VAL A 68 -7.438 2.855 -11.750 1.00 0.00 C ATOM 992 CG1 VAL A 68 -7.008 1.883 -12.838 1.00 0.00 C ATOM 993 CG2 VAL A 68 -6.585 2.683 -10.502 1.00 0.00 C ATOM 0 H VAL A 68 -9.286 3.955 -13.011 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.277 4.979 -11.407 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.473 2.635 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.070 0.863 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.664 1.990 -13.702 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.981 2.099 -13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.652 1.652 -10.155 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.547 2.921 -10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.944 3.353 -9.721 1.00 0.00 H new ATOM 1003 N ASP A 69 -6.353 4.621 -14.443 1.00 0.00 N ATOM 1004 CA ASP A 69 -5.260 4.779 -15.395 1.00 0.00 C ATOM 1005 C ASP A 69 -4.464 6.047 -15.104 1.00 0.00 C ATOM 1006 O ASP A 69 -3.414 6.284 -15.701 1.00 0.00 O ATOM 1007 CB ASP A 69 -5.803 4.820 -16.825 1.00 0.00 C ATOM 1008 CG ASP A 69 -6.276 3.462 -17.304 1.00 0.00 C ATOM 1009 OD1 ASP A 69 -7.391 3.052 -16.918 1.00 0.00 O ATOM 1010 OD2 ASP A 69 -5.531 2.808 -18.064 1.00 0.00 O ATOM 0 H ASP A 69 -7.283 4.648 -14.861 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.594 3.922 -15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.630 5.528 -16.876 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.026 5.188 -17.495 1.00 0.00 H new ATOM 1015 N SER A 70 -4.971 6.859 -14.182 1.00 0.00 N ATOM 1016 CA SER A 70 -4.310 8.106 -13.814 1.00 0.00 C ATOM 1017 C SER A 70 -3.621 7.976 -12.459 1.00 0.00 C ATOM 1018 O SER A 70 -2.520 8.490 -12.259 1.00 0.00 O ATOM 1019 CB SER A 70 -5.322 9.253 -13.777 1.00 0.00 C ATOM 1020 OG SER A 70 -4.673 10.509 -13.880 1.00 0.00 O ATOM 0 H SER A 70 -5.837 6.676 -13.676 1.00 0.00 H new ATOM 0 HA SER A 70 -3.553 8.324 -14.568 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.034 9.140 -14.594 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.892 9.210 -12.849 1.00 0.00 H new ATOM 0 HG SER A 70 -5.341 11.225 -13.856 1.00 0.00 H new ATOM 1026 N TRP A 71 -4.277 7.287 -11.533 1.00 0.00 N ATOM 1027 CA TRP A 71 -3.728 7.089 -10.196 1.00 0.00 C ATOM 1028 C TRP A 71 -2.213 6.924 -10.249 1.00 0.00 C ATOM 1029 O TRP A 71 -1.667 6.434 -11.237 1.00 0.00 O ATOM 1030 CB TRP A 71 -4.364 5.864 -9.537 1.00 0.00 C ATOM 1031 CG TRP A 71 -5.732 6.130 -8.986 1.00 0.00 C ATOM 1032 CD1 TRP A 71 -6.822 6.576 -9.678 1.00 0.00 C ATOM 1033 CD2 TRP A 71 -6.156 5.967 -7.628 1.00 0.00 C ATOM 1034 NE1 TRP A 71 -7.897 6.701 -8.832 1.00 0.00 N ATOM 1035 CE2 TRP A 71 -7.515 6.333 -7.569 1.00 0.00 C ATOM 1036 CE3 TRP A 71 -5.520 5.547 -6.457 1.00 0.00 C ATOM 1037 CZ2 TRP A 71 -8.246 6.291 -6.385 1.00 0.00 C ATOM 1038 CZ3 TRP A 71 -6.246 5.506 -5.282 1.00 0.00 C ATOM 1039 CH2 TRP A 71 -7.598 5.876 -5.253 1.00 0.00 C ATOM 0 H TRP A 71 -5.189 6.856 -11.683 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.958 7.973 -9.601 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.425 5.058 -10.268 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.717 5.516 -8.732 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.836 6.798 -10.735 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -8.829 7.017 -9.101 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.479 5.259 -6.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.287 6.576 -6.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.764 5.184 -4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.139 5.833 -4.319 1.00 0.00 H new ATOM 1050 N MET A 72 -1.540 7.336 -9.180 1.00 0.00 N ATOM 1051 CA MET A 72 -0.087 7.232 -9.105 1.00 0.00 C ATOM 1052 C MET A 72 0.334 5.858 -8.592 1.00 0.00 C ATOM 1053 O MET A 72 -0.411 5.203 -7.862 1.00 0.00 O ATOM 1054 CB MET A 72 0.478 8.324 -8.194 1.00 0.00 C ATOM 1055 CG MET A 72 0.798 9.618 -8.924 1.00 0.00 C ATOM 1056 SD MET A 72 -0.609 10.743 -8.992 1.00 0.00 S ATOM 1057 CE MET A 72 -0.586 11.415 -7.332 1.00 0.00 C ATOM 0 H MET A 72 -1.977 7.745 -8.354 1.00 0.00 H new ATOM 0 HA MET A 72 0.314 7.364 -10.110 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.240 8.532 -7.401 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.384 7.953 -7.715 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.631 10.114 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.123 9.387 -9.938 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.254 12.275 -7.278 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.918 10.653 -6.626 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.428 11.726 -7.080 1.00 0.00 H new ATOM 1067 N ILE A 73 1.530 5.428 -8.979 1.00 0.00 N ATOM 1068 CA ILE A 73 2.048 4.133 -8.557 1.00 0.00 C ATOM 1069 C ILE A 73 3.562 4.179 -8.376 1.00 0.00 C ATOM 1070 O ILE A 73 4.271 4.826 -9.147 1.00 0.00 O ATOM 1071 CB ILE A 73 1.698 3.028 -9.572 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.180 2.903 -9.718 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.305 1.701 -9.141 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.397 3.788 -10.801 1.00 0.00 C ATOM 0 H ILE A 73 2.158 5.957 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 73 1.576 3.901 -7.602 1.00 0.00 H new ATOM 0 HB ILE A 73 2.117 3.299 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.072 1.865 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.290 3.153 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.049 0.930 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.389 1.799 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.913 1.422 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.477 3.648 -10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.176 4.831 -10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.046 3.524 -11.761 1.00 0.00 H new ATOM 1086 N VAL A 74 4.051 3.487 -7.352 1.00 0.00 N ATOM 1087 CA VAL A 74 5.481 3.446 -7.070 1.00 0.00 C ATOM 1088 C VAL A 74 5.955 2.016 -6.839 1.00 0.00 C ATOM 1089 O VAL A 74 5.897 1.488 -5.728 1.00 0.00 O ATOM 1090 CB VAL A 74 5.835 4.298 -5.837 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.303 4.133 -5.477 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.499 5.761 -6.086 1.00 0.00 C ATOM 0 H VAL A 74 3.478 2.947 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 74 5.987 3.857 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 74 5.238 3.951 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.534 4.743 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.507 3.086 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.921 4.452 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.756 6.348 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.067 6.124 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.433 5.860 -6.290 1.00 0.00 H new ATOM 1102 N PRO A 75 6.437 1.371 -7.912 1.00 0.00 N ATOM 1103 CA PRO A 75 6.932 -0.007 -7.852 1.00 0.00 C ATOM 1104 C PRO A 75 8.239 -0.120 -7.075 1.00 0.00 C ATOM 1105 O PRO A 75 8.675 0.834 -6.433 1.00 0.00 O ATOM 1106 CB PRO A 75 7.151 -0.371 -9.322 1.00 0.00 C ATOM 1107 CG PRO A 75 7.377 0.934 -10.005 1.00 0.00 C ATOM 1108 CD PRO A 75 6.536 1.939 -9.267 1.00 0.00 C ATOM 0 HA PRO A 75 6.236 -0.667 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.007 -1.035 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.286 -0.889 -9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.431 1.212 -9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.089 0.880 -11.055 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.003 2.924 -9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.554 2.056 -9.726 1.00 0.00 H new ATOM 1116 N ASN A 76 8.861 -1.293 -7.139 1.00 0.00 N ATOM 1117 CA ASN A 76 10.119 -1.530 -6.441 1.00 0.00 C ATOM 1118 C ASN A 76 9.947 -1.358 -4.935 1.00 0.00 C ATOM 1119 O ASN A 76 10.841 -0.858 -4.251 1.00 0.00 O ATOM 1120 CB ASN A 76 11.199 -0.576 -6.955 1.00 0.00 C ATOM 1121 CG ASN A 76 11.578 -0.854 -8.397 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.471 -1.655 -8.672 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.898 -0.192 -9.325 1.00 0.00 N ATOM 0 H ASN A 76 8.514 -2.094 -7.667 1.00 0.00 H new ATOM 0 HA ASN A 76 10.427 -2.557 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.844 0.451 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.085 -0.662 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.108 -0.338 -10.312 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.166 0.463 -9.051 1.00 0.00 H new ATOM 1130 N ILE A 77 8.793 -1.775 -4.425 1.00 0.00 N ATOM 1131 CA ILE A 77 8.504 -1.668 -3.000 1.00 0.00 C ATOM 1132 C ILE A 77 8.738 -2.997 -2.291 1.00 0.00 C ATOM 1133 O ILE A 77 7.938 -3.926 -2.409 1.00 0.00 O ATOM 1134 CB ILE A 77 7.054 -1.214 -2.752 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.730 0.019 -3.599 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.836 -0.921 -1.275 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.343 0.571 -3.356 1.00 0.00 C ATOM 0 H ILE A 77 8.043 -2.190 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 77 9.184 -0.919 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 77 6.381 -2.020 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.464 0.797 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.831 -0.238 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.806 -0.601 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.030 -1.822 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.515 -0.130 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.182 1.443 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.601 -0.192 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.244 0.860 -2.310 1.00 0.00 H new ATOM 1149 N LYS A 78 9.839 -3.082 -1.552 1.00 0.00 N ATOM 1150 CA LYS A 78 10.178 -4.296 -0.820 1.00 0.00 C ATOM 1151 C LYS A 78 10.214 -4.033 0.683 1.00 0.00 C ATOM 1152 O LYS A 78 11.051 -4.584 1.398 1.00 0.00 O ATOM 1153 CB LYS A 78 11.531 -4.837 -1.286 1.00 0.00 C ATOM 1154 CG LYS A 78 11.606 -5.079 -2.784 1.00 0.00 C ATOM 1155 CD LYS A 78 10.990 -6.415 -3.163 1.00 0.00 C ATOM 1156 CE LYS A 78 10.933 -6.594 -4.673 1.00 0.00 C ATOM 1157 NZ LYS A 78 10.243 -5.456 -5.341 1.00 0.00 N ATOM 0 H LYS A 78 10.512 -2.323 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 78 9.407 -5.040 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.312 -4.133 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.738 -5.771 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.089 -4.276 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.647 -5.052 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.572 -7.224 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.984 -6.484 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.945 -6.686 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.414 -7.523 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.028 -5.710 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.358 -5.243 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.860 -4.619 -5.326 1.00 0.00 H new ATOM 1171 N GLN A 79 9.301 -3.190 1.153 1.00 0.00 N ATOM 1172 CA GLN A 79 9.229 -2.856 2.571 1.00 0.00 C ATOM 1173 C GLN A 79 7.794 -2.945 3.079 1.00 0.00 C ATOM 1174 O GLN A 79 6.872 -3.233 2.317 1.00 0.00 O ATOM 1175 CB GLN A 79 9.783 -1.451 2.814 1.00 0.00 C ATOM 1176 CG GLN A 79 9.109 -0.378 1.973 1.00 0.00 C ATOM 1177 CD GLN A 79 9.958 0.870 1.831 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.123 0.891 2.229 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.378 1.919 1.259 1.00 0.00 N ATOM 0 H GLN A 79 8.601 -2.726 0.574 1.00 0.00 H new ATOM 0 HA GLN A 79 9.834 -3.577 3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.667 -1.201 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.852 -1.449 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.892 -0.780 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.153 -0.113 2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.410 1.858 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.901 2.786 1.135 1.00 0.00 H new ATOM 1188 N ASN A 80 7.613 -2.696 4.372 1.00 0.00 N ATOM 1189 CA ASN A 80 6.289 -2.749 4.983 1.00 0.00 C ATOM 1190 C ASN A 80 5.733 -1.344 5.199 1.00 0.00 C ATOM 1191 O ASN A 80 4.740 -1.160 5.902 1.00 0.00 O ATOM 1192 CB ASN A 80 6.349 -3.496 6.316 1.00 0.00 C ATOM 1193 CG ASN A 80 6.788 -4.938 6.151 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.693 -5.239 5.372 1.00 0.00 O ATOM 1195 ND2 ASN A 80 6.146 -5.839 6.886 1.00 0.00 N ATOM 0 H ASN A 80 8.366 -2.456 5.017 1.00 0.00 H new ATOM 0 HA ASN A 80 5.624 -3.284 4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.039 -2.983 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.367 -3.470 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.397 -6.825 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.402 -5.545 7.519 1.00 0.00 H new ATOM 1202 N HIS A 81 6.380 -0.357 4.588 1.00 0.00 N ATOM 1203 CA HIS A 81 5.950 1.031 4.712 1.00 0.00 C ATOM 1204 C HIS A 81 6.739 1.931 3.765 1.00 0.00 C ATOM 1205 O HIS A 81 7.970 1.945 3.787 1.00 0.00 O ATOM 1206 CB HIS A 81 6.121 1.513 6.153 1.00 0.00 C ATOM 1207 CG HIS A 81 7.418 1.097 6.774 1.00 0.00 C ATOM 1208 ND1 HIS A 81 8.685 1.517 6.544 1.00 0.00 N flip ATOM 1209 CD2 HIS A 81 7.508 0.135 7.758 1.00 0.00 C flip ATOM 1210 CE1 HIS A 81 9.507 0.809 7.386 1.00 0.00 C flip ATOM 1211 NE2 HIS A 81 8.772 -0.018 8.108 1.00 0.00 N flip ATOM 0 H HIS A 81 7.204 -0.493 4.002 1.00 0.00 H new ATOM 0 HA HIS A 81 4.895 1.084 4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.050 2.600 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.299 1.128 6.756 1.00 0.00 H new ATOM 0 HD1 HIS A 81 8.975 2.227 5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.674 -0.409 8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.580 0.912 7.448 1.00 0.00 H new ATOM 1220 N TYR A 82 6.022 2.680 2.935 1.00 0.00 N ATOM 1221 CA TYR A 82 6.655 3.580 1.978 1.00 0.00 C ATOM 1222 C TYR A 82 6.311 5.034 2.288 1.00 0.00 C ATOM 1223 O TYR A 82 5.139 5.404 2.372 1.00 0.00 O ATOM 1224 CB TYR A 82 6.218 3.234 0.554 1.00 0.00 C ATOM 1225 CG TYR A 82 6.887 4.079 -0.507 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.595 5.431 -0.632 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.810 3.524 -1.385 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.203 6.207 -1.600 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.424 4.292 -2.355 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.117 5.633 -2.459 1.00 0.00 C ATOM 1231 OH TYR A 82 8.725 6.401 -3.425 1.00 0.00 O ATOM 0 H TYR A 82 5.002 2.682 2.905 1.00 0.00 H new ATOM 0 HA TYR A 82 7.735 3.455 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.436 2.184 0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.138 3.355 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.880 5.884 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.051 2.474 -1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.964 7.257 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.140 3.845 -3.028 1.00 0.00 H new ATOM 0 HH TYR A 82 9.342 5.845 -3.945 1.00 0.00 H new ATOM 1241 N THR A 83 7.342 5.856 2.457 1.00 0.00 N ATOM 1242 CA THR A 83 7.151 7.270 2.758 1.00 0.00 C ATOM 1243 C THR A 83 6.934 8.079 1.484 1.00 0.00 C ATOM 1244 O THR A 83 7.865 8.299 0.710 1.00 0.00 O ATOM 1245 CB THR A 83 8.357 7.849 3.522 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.665 7.023 4.649 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.070 9.268 3.989 1.00 0.00 C ATOM 0 H THR A 83 8.318 5.567 2.391 1.00 0.00 H new ATOM 0 HA THR A 83 6.263 7.343 3.386 1.00 0.00 H new ATOM 0 HB THR A 83 9.211 7.872 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.434 7.397 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.935 9.656 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.865 9.901 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.204 9.265 4.651 1.00 0.00 H new ATOM 1255 N VAL A 84 5.698 8.520 1.273 1.00 0.00 N ATOM 1256 CA VAL A 84 5.359 9.307 0.093 1.00 0.00 C ATOM 1257 C VAL A 84 5.749 10.770 0.277 1.00 0.00 C ATOM 1258 O VAL A 84 5.135 11.493 1.063 1.00 0.00 O ATOM 1259 CB VAL A 84 3.854 9.225 -0.223 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.524 10.036 -1.467 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.425 7.775 -0.393 1.00 0.00 C ATOM 0 H VAL A 84 4.915 8.346 1.903 1.00 0.00 H new ATOM 0 HA VAL A 84 5.921 8.886 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 84 3.301 9.649 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.456 9.966 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.794 11.079 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.085 9.645 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.359 7.735 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.984 7.324 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.624 7.226 0.528 1.00 0.00 H new ATOM 1271 N HIS A 85 6.773 11.200 -0.453 1.00 0.00 N ATOM 1272 CA HIS A 85 7.245 12.578 -0.370 1.00 0.00 C ATOM 1273 C HIS A 85 6.725 13.401 -1.546 1.00 0.00 C ATOM 1274 O HIS A 85 6.666 12.919 -2.676 1.00 0.00 O ATOM 1275 CB HIS A 85 8.773 12.615 -0.343 1.00 0.00 C ATOM 1276 CG HIS A 85 9.351 12.455 1.030 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.328 11.405 1.883 1.00 0.00 N flip ATOM 1278 CD2 HIS A 85 10.052 13.454 1.672 1.00 0.00 C flip ATOM 1279 CE1 HIS A 85 10.009 11.785 3.014 1.00 0.00 C flip ATOM 1280 NE2 HIS A 85 10.436 13.025 2.861 1.00 0.00 N flip ATOM 0 H HIS A 85 7.292 10.615 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 85 6.862 13.013 0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.159 11.824 -0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.113 13.561 -0.764 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.255 14.434 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.169 11.169 3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.971 13.561 3.544 1.00 0.00 H new ATOM 1289 N GLY A 86 6.349 14.646 -1.270 1.00 0.00 N ATOM 1290 CA GLY A 86 5.839 15.515 -2.314 1.00 0.00 C ATOM 1291 C GLY A 86 4.329 15.645 -2.274 1.00 0.00 C ATOM 1292 O GLY A 86 3.668 15.623 -3.313 1.00 0.00 O ATOM 0 H GLY A 86 6.389 15.068 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.288 16.503 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.141 15.126 -3.286 1.00 0.00 H new ATOM 1296 N LEU A 87 3.780 15.779 -1.071 1.00 0.00 N ATOM 1297 CA LEU A 87 2.338 15.911 -0.899 1.00 0.00 C ATOM 1298 C LEU A 87 1.963 17.341 -0.521 1.00 0.00 C ATOM 1299 O LEU A 87 2.818 18.225 -0.476 1.00 0.00 O ATOM 1300 CB LEU A 87 1.841 14.941 0.174 1.00 0.00 C ATOM 1301 CG LEU A 87 2.011 13.453 -0.136 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.874 12.625 1.132 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.996 13.007 -1.178 1.00 0.00 C ATOM 0 H LEU A 87 4.312 15.799 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 87 1.860 15.668 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.365 15.160 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.783 15.136 0.350 1.00 0.00 H new ATOM 0 HG LEU A 87 3.011 13.297 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.998 11.569 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.639 12.927 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.887 12.785 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.131 11.946 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.012 13.177 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.141 13.578 -2.095 1.00 0.00 H new ATOM 1315 N GLN A 88 0.681 17.558 -0.248 1.00 0.00 N ATOM 1316 CA GLN A 88 0.194 18.881 0.128 1.00 0.00 C ATOM 1317 C GLN A 88 -0.267 18.898 1.581 1.00 0.00 C ATOM 1318 O GLN A 88 -0.885 17.946 2.058 1.00 0.00 O ATOM 1319 CB GLN A 88 -0.955 19.304 -0.789 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.535 19.508 -2.236 1.00 0.00 C ATOM 1321 CD GLN A 88 -1.714 19.531 -3.188 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -2.666 20.290 -2.998 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -1.658 18.699 -4.221 1.00 0.00 N ATOM 0 H GLN A 88 -0.039 16.836 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 88 1.016 19.588 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.738 18.546 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.388 20.230 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.015 20.445 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.148 18.710 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.850 18.088 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.423 18.671 -4.896 1.00 0.00 H new ATOM 1332 N SER A 89 0.037 19.986 2.281 1.00 0.00 N ATOM 1333 CA SER A 89 -0.342 20.126 3.682 1.00 0.00 C ATOM 1334 C SER A 89 -1.857 20.233 3.826 1.00 0.00 C ATOM 1335 O SER A 89 -2.536 20.791 2.965 1.00 0.00 O ATOM 1336 CB SER A 89 0.328 21.357 4.294 1.00 0.00 C ATOM 1337 OG SER A 89 0.019 22.526 3.555 1.00 0.00 O ATOM 0 H SER A 89 0.545 20.784 1.900 1.00 0.00 H new ATOM 0 HA SER A 89 -0.005 19.237 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.000 21.478 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.408 21.213 4.318 1.00 0.00 H new ATOM 0 HG SER A 89 0.458 23.299 3.967 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.381 19.693 4.923 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.812 19.738 5.161 1.00 0.00 C ATOM 1345 C GLY A 90 -4.616 19.339 3.940 1.00 0.00 C ATOM 1346 O GLY A 90 -5.492 20.080 3.493 1.00 0.00 O ATOM 0 H GLY A 90 -1.840 19.226 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.060 19.074 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.095 20.746 5.465 1.00 0.00 H new ATOM 1350 N THR A 91 -4.317 18.163 3.395 1.00 0.00 N ATOM 1351 CA THR A 91 -5.016 17.667 2.216 1.00 0.00 C ATOM 1352 C THR A 91 -5.294 16.173 2.330 1.00 0.00 C ATOM 1353 O THR A 91 -4.458 15.412 2.816 1.00 0.00 O ATOM 1354 CB THR A 91 -4.208 17.931 0.931 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.082 19.341 0.713 1.00 0.00 O ATOM 1356 CG2 THR A 91 -4.878 17.284 -0.272 1.00 0.00 C ATOM 0 H THR A 91 -3.595 17.537 3.752 1.00 0.00 H new ATOM 0 HA THR A 91 -5.961 18.206 2.159 1.00 0.00 H new ATOM 0 HB THR A 91 -3.218 17.493 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.587 19.744 1.457 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.290 17.484 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.946 16.207 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.879 17.696 -0.396 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.473 15.759 1.877 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.862 14.355 1.929 1.00 0.00 C ATOM 1366 C ARG A 92 -6.082 13.537 0.904 1.00 0.00 C ATOM 1367 O ARG A 92 -5.768 14.022 -0.183 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.364 14.210 1.678 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.224 14.662 2.846 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.558 13.932 2.871 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.495 14.538 3.813 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.610 13.944 4.225 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.924 12.735 3.781 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.413 14.560 5.084 1.00 0.00 N ATOM 0 H ARG A 92 -7.175 16.376 1.470 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.629 13.976 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.633 14.789 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.587 13.166 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.693 14.483 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.397 15.736 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.993 13.938 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.395 12.889 3.142 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.282 15.468 4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.309 12.258 3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.780 12.281 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.174 15.490 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.269 14.103 5.400 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.772 12.295 1.258 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.026 11.411 0.371 1.00 0.00 C ATOM 1390 C TYR A 93 -5.425 9.955 0.592 1.00 0.00 C ATOM 1391 O TYR A 93 -5.314 9.431 1.701 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.522 11.579 0.595 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.917 12.719 -0.193 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.474 12.531 -1.496 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.789 13.984 0.367 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.920 13.570 -2.219 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.237 15.029 -0.349 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.804 14.817 -1.641 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.253 15.855 -2.358 1.00 0.00 O ATOM 0 H TYR A 93 -6.026 11.878 2.153 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.266 11.683 -0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.337 11.744 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.017 10.652 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.564 11.556 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.127 14.153 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.580 13.407 -3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.145 16.007 0.101 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.458 16.704 -1.914 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.888 9.307 -0.472 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.301 7.911 -0.396 1.00 0.00 C ATOM 1411 C ILE A 94 -5.174 6.980 -0.828 1.00 0.00 C ATOM 1412 O ILE A 94 -4.600 7.140 -1.905 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.539 7.642 -1.272 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.712 8.512 -0.816 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.913 6.168 -1.221 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.975 8.292 -1.620 1.00 0.00 C ATOM 0 H ILE A 94 -5.986 9.726 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.553 7.713 0.646 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.300 7.900 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.919 8.307 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.425 9.561 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.790 5.993 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.080 5.568 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.137 5.885 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.765 8.941 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.785 8.525 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.287 7.251 -1.530 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.863 6.004 0.019 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.804 5.045 -0.275 1.00 0.00 C ATOM 1430 C PHE A 95 -4.377 3.643 -0.462 1.00 0.00 C ATOM 1431 O PHE A 95 -5.286 3.232 0.259 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.766 5.038 0.849 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.960 6.303 0.928 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.447 7.410 1.604 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.715 6.385 0.326 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.708 8.575 1.680 1.00 0.00 C ATOM 1437 CE2 PHE A 95 0.030 7.548 0.399 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.468 8.644 1.075 1.00 0.00 C ATOM 0 H PHE A 95 -5.329 5.856 0.914 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.321 5.348 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.274 4.880 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.091 4.195 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.416 7.362 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.322 5.531 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.099 9.430 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.000 7.599 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.111 9.554 1.131 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.839 2.916 -1.435 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.295 1.561 -1.717 1.00 0.00 C ATOM 1450 C ILE A 96 -3.129 0.656 -2.100 1.00 0.00 C ATOM 1451 O ILE A 96 -2.601 0.741 -3.209 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.338 1.542 -2.850 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.675 2.097 -2.352 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.512 0.130 -3.387 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.650 2.414 -3.464 1.00 0.00 C ATOM 0 H ILE A 96 -3.087 3.243 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.756 1.188 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.982 2.177 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.130 1.373 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.490 3.002 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.252 0.134 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.560 -0.231 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.849 -0.526 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.575 2.803 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.215 3.161 -4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.864 1.507 -4.029 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.732 -0.212 -1.175 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.630 -1.136 -1.417 1.00 0.00 C ATOM 1469 C VAL A 97 -2.107 -2.378 -2.161 1.00 0.00 C ATOM 1470 O VAL A 97 -3.080 -3.019 -1.763 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.960 -1.566 -0.098 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.004 -2.718 -0.341 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.244 -0.388 0.545 1.00 0.00 C ATOM 0 H VAL A 97 -3.157 -0.295 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.901 -0.607 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.734 -1.909 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.468 -3.009 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.540 -3.567 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.776 -2.405 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.223 -0.710 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.521 -0.012 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.963 0.404 0.755 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.415 -2.713 -3.245 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.765 -3.880 -4.046 1.00 0.00 C ATOM 1485 C LYS A 98 -0.588 -4.845 -4.146 1.00 0.00 C ATOM 1486 O LYS A 98 0.496 -4.472 -4.595 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.205 -3.449 -5.447 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.589 -4.610 -6.348 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.138 -4.125 -7.679 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.226 -3.086 -8.313 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.470 -1.724 -7.763 1.00 0.00 N ATOM 0 H LYS A 98 -0.608 -2.192 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.591 -4.393 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.054 -2.772 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.397 -2.888 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.717 -5.241 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.336 -5.228 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.253 -4.971 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.130 -3.698 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.186 -3.365 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.382 -3.075 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.524 -1.039 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.366 -1.718 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.691 -1.462 -7.126 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.808 -6.086 -3.725 1.00 0.00 N ATOM 1506 CA ALA A 99 0.233 -7.105 -3.771 1.00 0.00 C ATOM 1507 C ALA A 99 0.195 -7.870 -5.089 1.00 0.00 C ATOM 1508 O ALA A 99 -0.838 -8.424 -5.466 1.00 0.00 O ATOM 1509 CB ALA A 99 0.087 -8.062 -2.597 1.00 0.00 C ATOM 0 H ALA A 99 -1.699 -6.410 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 99 1.199 -6.606 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.871 -8.818 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.173 -7.507 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.888 -8.547 -2.642 1.00 0.00 H new ATOM 1515 N ILE A 100 1.326 -7.898 -5.785 1.00 0.00 N ATOM 1516 CA ILE A 100 1.421 -8.596 -7.061 1.00 0.00 C ATOM 1517 C ILE A 100 2.362 -9.792 -6.964 1.00 0.00 C ATOM 1518 O ILE A 100 3.402 -9.725 -6.310 1.00 0.00 O ATOM 1519 CB ILE A 100 1.912 -7.660 -8.181 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.000 -6.436 -8.288 1.00 0.00 C ATOM 1521 CG2 ILE A 100 1.967 -8.403 -9.507 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.452 -5.270 -7.436 1.00 0.00 C ATOM 0 H ILE A 100 2.190 -7.445 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 100 0.417 -8.944 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 100 2.918 -7.321 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.953 -6.118 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.011 -6.719 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.316 -7.728 -10.288 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.653 -9.246 -9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.972 -8.768 -9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.759 -4.438 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.472 -5.571 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.451 -4.960 -7.744 1.00 0.00 H new ATOM 1534 N ASN A 101 1.991 -10.885 -7.623 1.00 0.00 N ATOM 1535 CA ASN A 101 2.803 -12.097 -7.612 1.00 0.00 C ATOM 1536 C ASN A 101 2.649 -12.866 -8.920 1.00 0.00 C ATOM 1537 O ASN A 101 1.986 -12.404 -9.849 1.00 0.00 O ATOM 1538 CB ASN A 101 2.411 -12.989 -6.433 1.00 0.00 C ATOM 1539 CG ASN A 101 0.959 -13.424 -6.496 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.222 -13.038 -7.403 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.542 -14.233 -5.528 1.00 0.00 N ATOM 0 H ASN A 101 1.134 -10.957 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 101 3.847 -11.804 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.052 -13.871 -6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.587 -12.453 -5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.424 -14.559 -5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.188 -14.528 -4.796 1.00 0.00 H new ATOM 1548 N GLN A 102 3.264 -14.043 -8.985 1.00 0.00 N ATOM 1549 CA GLN A 102 3.195 -14.876 -10.179 1.00 0.00 C ATOM 1550 C GLN A 102 1.750 -15.235 -10.509 1.00 0.00 C ATOM 1551 O GLN A 102 1.381 -15.354 -11.677 1.00 0.00 O ATOM 1552 CB GLN A 102 4.017 -16.151 -9.985 1.00 0.00 C ATOM 1553 CG GLN A 102 3.571 -17.304 -10.870 1.00 0.00 C ATOM 1554 CD GLN A 102 4.705 -18.249 -11.214 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.809 -18.132 -10.681 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.438 -19.193 -12.109 1.00 0.00 N ATOM 0 H GLN A 102 3.815 -14.441 -8.225 1.00 0.00 H new ATOM 0 HA GLN A 102 3.609 -14.308 -11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.065 -15.932 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.953 -16.459 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.781 -17.860 -10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.143 -16.906 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.509 -19.253 -12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.162 -19.858 -12.380 1.00 0.00 H new ATOM 1565 N ALA A 103 0.936 -15.405 -9.473 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.469 -15.749 -9.653 1.00 0.00 C ATOM 1567 C ALA A 103 -1.254 -14.571 -10.222 1.00 0.00 C ATOM 1568 O ALA A 103 -1.675 -14.594 -11.377 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.076 -16.201 -8.333 1.00 0.00 C ATOM 0 H ALA A 103 1.225 -15.310 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.527 -16.570 -10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.125 -16.455 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.540 -17.077 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.998 -15.396 -7.602 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.446 -13.543 -9.401 1.00 0.00 N ATOM 1576 CA GLY A 104 -2.181 -12.371 -9.841 1.00 0.00 C ATOM 1577 C GLY A 104 -1.903 -11.155 -8.978 1.00 0.00 C ATOM 1578 O GLY A 104 -0.752 -10.871 -8.647 1.00 0.00 O ATOM 0 H GLY A 104 -1.106 -13.501 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.917 -12.147 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.249 -12.588 -9.824 1.00 0.00 H new ATOM 1582 N SER A 105 -2.959 -10.435 -8.615 1.00 0.00 N ATOM 1583 CA SER A 105 -2.823 -9.240 -7.790 1.00 0.00 C ATOM 1584 C SER A 105 -4.110 -8.962 -7.020 1.00 0.00 C ATOM 1585 O SER A 105 -5.209 -9.219 -7.512 1.00 0.00 O ATOM 1586 CB SER A 105 -2.464 -8.033 -8.660 1.00 0.00 C ATOM 1587 OG SER A 105 -1.721 -8.429 -9.799 1.00 0.00 O ATOM 0 H SER A 105 -3.919 -10.658 -8.879 1.00 0.00 H new ATOM 0 HA SER A 105 -2.021 -9.413 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.375 -7.524 -8.975 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.885 -7.318 -8.075 1.00 0.00 H new ATOM 0 HG SER A 105 -1.505 -7.640 -10.339 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.965 -8.435 -5.809 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.115 -8.122 -4.969 1.00 0.00 C ATOM 1595 C ARG A 106 -4.998 -6.716 -4.388 1.00 0.00 C ATOM 1596 O ARG A 106 -4.046 -6.407 -3.674 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.240 -9.145 -3.838 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.496 -8.974 -2.999 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.710 -9.581 -3.684 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.962 -9.094 -3.112 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.527 -9.615 -2.028 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.955 -10.634 -1.403 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.668 -9.116 -1.568 1.00 0.00 N ATOM 0 H ARG A 106 -3.063 -8.216 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.010 -8.166 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.232 -10.148 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.367 -9.067 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.352 -9.445 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.672 -7.914 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.682 -9.345 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.670 -10.667 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.429 -8.311 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.079 -11.020 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.391 -11.032 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.112 -8.332 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.101 -9.517 -0.736 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.974 -5.869 -4.700 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.979 -4.496 -4.210 1.00 0.00 C ATOM 1619 C ASN A 107 -6.748 -4.390 -2.896 1.00 0.00 C ATOM 1620 O ASN A 107 -7.861 -4.901 -2.774 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.599 -3.563 -5.253 1.00 0.00 C ATOM 1622 CG ASN A 107 -8.114 -3.614 -5.247 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.715 -4.594 -5.687 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.740 -2.555 -4.746 1.00 0.00 N ATOM 0 H ASN A 107 -6.771 -6.110 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.946 -4.196 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.272 -2.541 -5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.233 -3.835 -6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.759 -2.532 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.201 -1.764 -4.392 1.00 0.00 H new ATOM 1631 N SER A 108 -6.146 -3.724 -1.917 1.00 0.00 N ATOM 1632 CA SER A 108 -6.772 -3.553 -0.611 1.00 0.00 C ATOM 1633 C SER A 108 -7.775 -2.405 -0.635 1.00 0.00 C ATOM 1634 O SER A 108 -7.861 -1.663 -1.613 1.00 0.00 O ATOM 1635 CB SER A 108 -5.708 -3.294 0.458 1.00 0.00 C ATOM 1636 OG SER A 108 -6.259 -3.392 1.760 1.00 0.00 O ATOM 0 H SER A 108 -5.225 -3.294 -2.003 1.00 0.00 H new ATOM 0 HA SER A 108 -7.305 -4.472 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.896 -4.012 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.278 -2.303 0.315 1.00 0.00 H new ATOM 0 HG SER A 108 -5.945 -4.216 2.187 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.532 -2.265 0.449 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.531 -1.208 0.552 1.00 0.00 C ATOM 1644 C GLU A 109 -8.867 0.166 0.582 1.00 0.00 C ATOM 1645 O GLU A 109 -7.734 0.326 1.036 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.384 -1.402 1.807 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.164 -2.706 1.818 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.086 -2.845 0.622 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.590 -1.809 0.139 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -12.303 -3.988 0.169 1.00 0.00 O ATOM 0 H GLU A 109 -8.472 -2.870 1.268 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.174 -1.263 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.738 -1.368 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.083 -0.570 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.465 -3.543 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.752 -2.766 2.734 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.589 1.182 0.087 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.091 2.561 0.046 1.00 0.00 C ATOM 1659 C PRO A 110 -8.988 3.182 1.434 1.00 0.00 C ATOM 1660 O PRO A 110 -9.996 3.384 2.113 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.144 3.293 -0.791 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.389 2.494 -0.616 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.947 1.064 -0.470 1.00 0.00 C ATOM 0 HA PRO A 110 -8.083 2.618 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.280 4.318 -0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.851 3.344 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.943 2.823 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.052 2.612 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.607 0.505 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.945 0.544 -1.428 1.00 0.00 H new ATOM 1671 N THR A 111 -7.763 3.483 1.853 1.00 0.00 N ATOM 1672 CA THR A 111 -7.528 4.081 3.162 1.00 0.00 C ATOM 1673 C THR A 111 -7.330 5.588 3.050 1.00 0.00 C ATOM 1674 O THR A 111 -6.260 6.056 2.660 1.00 0.00 O ATOM 1675 CB THR A 111 -6.296 3.462 3.849 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.498 2.058 4.043 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.031 4.131 5.189 1.00 0.00 C ATOM 0 H THR A 111 -6.918 3.323 1.305 1.00 0.00 H new ATOM 0 HA THR A 111 -8.412 3.878 3.766 1.00 0.00 H new ATOM 0 HB THR A 111 -5.431 3.619 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.611 1.873 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.157 3.677 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.849 5.195 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.897 4.001 5.838 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.367 6.344 3.396 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.306 7.799 3.335 1.00 0.00 C ATOM 1687 C ARG A 112 -7.481 8.358 4.490 1.00 0.00 C ATOM 1688 O ARG A 112 -7.739 8.055 5.655 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.716 8.391 3.367 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.689 7.700 2.426 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.803 8.639 1.990 1.00 0.00 C ATOM 1692 NE ARG A 112 -13.046 7.922 1.715 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.197 7.073 0.705 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -12.188 6.834 -0.121 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.359 6.459 0.521 1.00 0.00 N ATOM 0 H ARG A 112 -9.259 5.973 3.721 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.823 8.079 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.103 8.331 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.663 9.449 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.153 7.337 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.119 6.829 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.977 9.381 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.492 9.181 1.097 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.842 8.082 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.293 7.303 0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.307 6.181 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.137 6.639 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.474 5.807 -0.255 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.488 9.176 4.159 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.624 9.778 5.168 1.00 0.00 C ATOM 1711 C LEU A 113 -5.645 11.300 5.066 1.00 0.00 C ATOM 1712 O LEU A 113 -6.033 11.859 4.040 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.191 9.266 5.013 1.00 0.00 C ATOM 1714 CG LEU A 113 -3.988 7.765 5.227 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.520 7.399 5.079 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.508 7.347 6.595 1.00 0.00 C ATOM 0 H LEU A 113 -6.261 9.438 3.200 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.001 9.492 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.842 9.521 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.556 9.802 5.718 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.554 7.229 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.395 6.327 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.178 7.663 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.933 7.944 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.356 6.276 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.969 7.891 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.572 7.574 6.665 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.224 11.966 6.137 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.192 13.423 6.168 1.00 0.00 C ATOM 1730 C LYS A 114 -3.893 13.925 6.791 1.00 0.00 C ATOM 1731 O LYS A 114 -3.501 13.488 7.873 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.388 13.964 6.953 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.612 14.227 6.093 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.627 15.095 6.817 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.285 16.572 6.696 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.197 17.421 7.512 1.00 0.00 N ATOM 0 H LYS A 114 -4.900 11.519 6.995 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.246 13.784 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.650 13.252 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.097 14.890 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.309 14.716 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.074 13.279 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.620 14.916 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.663 14.814 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.255 16.734 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.346 16.874 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.931 18.421 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.177 17.286 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.121 17.150 8.513 1.00 0.00 H new ATOM 1750 N THR A 115 -3.228 14.846 6.100 1.00 0.00 N ATOM 1751 CA THR A 115 -1.973 15.407 6.586 1.00 0.00 C ATOM 1752 C THR A 115 -2.222 16.468 7.652 1.00 0.00 C ATOM 1753 O THR A 115 -3.355 16.898 7.861 1.00 0.00 O ATOM 1754 CB THR A 115 -1.156 16.031 5.439 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.959 16.973 4.721 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.652 14.956 4.487 1.00 0.00 C ATOM 0 H THR A 115 -3.537 15.219 5.203 1.00 0.00 H new ATOM 0 HA THR A 115 -1.406 14.584 7.021 1.00 0.00 H new ATOM 0 HB THR A 115 -0.297 16.543 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.519 17.201 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.078 15.420 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.016 14.257 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.500 14.419 4.062 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.154 16.886 8.325 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.257 17.897 9.371 1.00 0.00 C ATOM 1766 C ASN A 116 -1.304 19.298 8.770 1.00 0.00 C ATOM 1767 O ASN A 116 -0.571 19.607 7.830 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.076 17.783 10.337 1.00 0.00 C ATOM 1769 CG ASN A 116 1.261 17.853 9.625 1.00 0.00 C ATOM 1770 OD1 ASN A 116 1.478 18.712 8.770 1.00 0.00 O ATOM 1771 ND2 ASN A 116 2.166 16.947 9.976 1.00 0.00 N ATOM 0 H ASN A 116 -0.208 16.540 8.164 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.183 17.725 9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.134 18.584 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.146 16.842 10.882 1.00 0.00 H new ATOM 0 HD21 ASN A 116 3.084 16.945 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.943 16.253 10.690 1.00 0.00 H new ATOM 1778 N SER A 117 -2.171 20.143 9.319 1.00 0.00 N ATOM 1779 CA SER A 117 -2.316 21.511 8.835 1.00 0.00 C ATOM 1780 C SER A 117 -0.980 22.057 8.342 1.00 0.00 C ATOM 1781 O SER A 117 -0.819 22.354 7.158 1.00 0.00 O ATOM 1782 CB SER A 117 -2.870 22.410 9.943 1.00 0.00 C ATOM 1783 OG SER A 117 -4.287 22.377 9.965 1.00 0.00 O ATOM 0 H SER A 117 -2.783 19.904 10.099 1.00 0.00 H new ATOM 0 HA SER A 117 -3.016 21.503 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.480 22.086 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.529 23.434 9.790 1.00 0.00 H new ATOM 0 HG SER A 117 -4.617 22.958 10.682 1.00 0.00 H new ATOM 1789 N GLN A 118 -0.026 22.187 9.258 1.00 0.00 N ATOM 1790 CA GLN A 118 1.296 22.699 8.916 1.00 0.00 C ATOM 1791 C GLN A 118 2.389 21.861 9.570 1.00 0.00 C ATOM 1792 O GLN A 118 2.145 21.100 10.507 1.00 0.00 O ATOM 1793 CB GLN A 118 1.428 24.160 9.350 1.00 0.00 C ATOM 1794 CG GLN A 118 1.081 25.154 8.253 1.00 0.00 C ATOM 1795 CD GLN A 118 1.657 26.532 8.512 1.00 0.00 C ATOM 1796 OE1 GLN A 118 2.602 26.688 9.285 1.00 0.00 O ATOM 1797 NE2 GLN A 118 1.087 27.542 7.864 1.00 0.00 N ATOM 0 H GLN A 118 -0.143 21.945 10.242 1.00 0.00 H new ATOM 0 HA GLN A 118 1.414 22.637 7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.778 24.336 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.450 24.341 9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.454 24.782 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.003 25.228 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.306 27.367 7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.431 28.493 7.998 1.00 0.00 H new ATOM 1806 N PRO A 119 3.624 22.001 9.067 1.00 0.00 N ATOM 1807 CA PRO A 119 4.780 21.265 9.587 1.00 0.00 C ATOM 1808 C PRO A 119 5.188 21.736 10.979 1.00 0.00 C ATOM 1809 O PRO A 119 4.520 22.576 11.582 1.00 0.00 O ATOM 1810 CB PRO A 119 5.884 21.575 8.573 1.00 0.00 C ATOM 1811 CG PRO A 119 5.491 22.880 7.972 1.00 0.00 C ATOM 1812 CD PRO A 119 3.988 22.890 7.950 1.00 0.00 C ATOM 0 HA PRO A 119 4.570 20.201 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.859 21.639 9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 119 5.955 20.795 7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.878 23.713 8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 119 5.897 22.984 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 119 3.591 23.895 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.598 22.523 7.001 1.00 0.00 H new ATOM 1820 N PHE A 120 6.289 21.190 11.484 1.00 0.00 N ATOM 1821 CA PHE A 120 6.786 21.554 12.806 1.00 0.00 C ATOM 1822 C PHE A 120 7.177 23.028 12.853 1.00 0.00 C ATOM 1823 O PHE A 120 7.889 23.522 11.979 1.00 0.00 O ATOM 1824 CB PHE A 120 7.988 20.683 13.180 1.00 0.00 C ATOM 1825 CG PHE A 120 8.866 21.295 14.234 1.00 0.00 C ATOM 1826 CD1 PHE A 120 9.762 22.300 13.910 1.00 0.00 C ATOM 1827 CD2 PHE A 120 8.795 20.864 15.549 1.00 0.00 C ATOM 1828 CE1 PHE A 120 10.572 22.865 14.878 1.00 0.00 C ATOM 1829 CE2 PHE A 120 9.602 21.425 16.521 1.00 0.00 C ATOM 1830 CZ PHE A 120 10.492 22.426 16.185 1.00 0.00 C ATOM 0 H PHE A 120 6.854 20.494 10.998 1.00 0.00 H new ATOM 0 HA PHE A 120 5.986 21.386 13.527 1.00 0.00 H new ATOM 0 HB2 PHE A 120 7.630 19.716 13.533 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.583 20.496 12.286 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.829 22.647 12.889 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.101 20.081 15.818 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.266 23.648 14.612 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.537 21.081 17.543 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.124 22.865 16.943 1.00 0.00 H new ATOM 1840 N LYS A 121 6.706 23.726 13.880 1.00 0.00 N ATOM 1841 CA LYS A 121 7.005 25.144 14.044 1.00 0.00 C ATOM 1842 C LYS A 121 8.066 25.355 15.120 1.00 0.00 C ATOM 1843 O LYS A 121 8.024 24.729 16.179 1.00 0.00 O ATOM 1844 CB LYS A 121 5.735 25.915 14.408 1.00 0.00 C ATOM 1845 CG LYS A 121 5.938 27.418 14.489 1.00 0.00 C ATOM 1846 CD LYS A 121 4.614 28.156 14.592 1.00 0.00 C ATOM 1847 CE LYS A 121 3.972 27.962 15.957 1.00 0.00 C ATOM 1848 NZ LYS A 121 2.869 28.933 16.195 1.00 0.00 N ATOM 0 H LYS A 121 6.115 23.333 14.612 1.00 0.00 H new ATOM 0 HA LYS A 121 7.392 25.520 13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.965 25.700 13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.364 25.555 15.367 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.556 27.656 15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.479 27.761 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.774 29.219 14.412 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.936 27.800 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.584 26.946 16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.729 28.075 16.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.458 28.768 17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.243 29.902 16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.134 28.809 15.469 1.00 0.00 H new ATOM 1862 N SER A 122 9.017 26.241 14.840 1.00 0.00 N ATOM 1863 CA SER A 122 10.090 26.533 15.783 1.00 0.00 C ATOM 1864 C SER A 122 9.528 27.055 17.102 1.00 0.00 C ATOM 1865 O SER A 122 8.472 27.685 17.134 1.00 0.00 O ATOM 1866 CB SER A 122 11.057 27.558 15.186 1.00 0.00 C ATOM 1867 OG SER A 122 10.377 28.744 14.814 1.00 0.00 O ATOM 0 H SER A 122 9.066 26.768 13.968 1.00 0.00 H new ATOM 0 HA SER A 122 10.629 25.606 15.980 1.00 0.00 H new ATOM 0 HB2 SER A 122 11.836 27.794 15.912 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.553 27.131 14.314 1.00 0.00 H new ATOM 0 HG SER A 122 11.017 29.383 14.437 1.00 0.00 H new ATOM 1873 N GLY A 123 10.244 26.787 18.190 1.00 0.00 N ATOM 1874 CA GLY A 123 9.802 27.236 19.498 1.00 0.00 C ATOM 1875 C GLY A 123 10.885 27.110 20.551 1.00 0.00 C ATOM 1876 O GLY A 123 12.078 27.150 20.252 1.00 0.00 O ATOM 0 H GLY A 123 11.122 26.267 18.189 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.482 28.276 19.433 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.933 26.654 19.804 1.00 0.00 H new ATOM 1880 N PRO A 124 10.469 26.955 21.817 1.00 0.00 N ATOM 1881 CA PRO A 124 11.397 26.821 22.944 1.00 0.00 C ATOM 1882 C PRO A 124 12.145 25.493 22.923 1.00 0.00 C ATOM 1883 O PRO A 124 12.055 24.733 21.959 1.00 0.00 O ATOM 1884 CB PRO A 124 10.482 26.901 24.168 1.00 0.00 C ATOM 1885 CG PRO A 124 9.151 26.446 23.677 1.00 0.00 C ATOM 1886 CD PRO A 124 9.062 26.899 22.246 1.00 0.00 C ATOM 0 HA PRO A 124 12.174 27.585 22.926 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.845 26.265 24.975 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.433 27.917 24.560 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.057 25.362 23.750 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.347 26.876 24.274 1.00 0.00 H new ATOM 0 HD2 PRO A 124 8.484 26.202 21.639 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.577 27.872 22.162 1.00 0.00 H new ATOM 1894 N SER A 125 12.884 25.218 23.994 1.00 0.00 N ATOM 1895 CA SER A 125 13.651 23.982 24.097 1.00 0.00 C ATOM 1896 C SER A 125 14.263 23.838 25.487 1.00 0.00 C ATOM 1897 O SER A 125 14.459 24.824 26.197 1.00 0.00 O ATOM 1898 CB SER A 125 14.753 23.951 23.036 1.00 0.00 C ATOM 1899 OG SER A 125 15.454 22.720 23.066 1.00 0.00 O ATOM 0 H SER A 125 12.967 25.835 24.802 1.00 0.00 H new ATOM 0 HA SER A 125 12.972 23.146 23.929 1.00 0.00 H new ATOM 0 HB2 SER A 125 14.316 24.101 22.049 1.00 0.00 H new ATOM 0 HB3 SER A 125 15.448 24.773 23.205 1.00 0.00 H new ATOM 0 HG SER A 125 16.152 22.724 22.378 1.00 0.00 H new ATOM 1905 N SER A 126 14.563 22.600 25.869 1.00 0.00 N ATOM 1906 CA SER A 126 15.150 22.324 27.175 1.00 0.00 C ATOM 1907 C SER A 126 16.561 21.763 27.029 1.00 0.00 C ATOM 1908 O SER A 126 17.184 21.357 28.009 1.00 0.00 O ATOM 1909 CB SER A 126 14.275 21.339 27.952 1.00 0.00 C ATOM 1910 OG SER A 126 14.270 20.064 27.333 1.00 0.00 O ATOM 0 H SER A 126 14.409 21.773 25.292 1.00 0.00 H new ATOM 0 HA SER A 126 15.207 23.262 27.727 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.643 21.249 28.974 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.256 21.722 28.012 1.00 0.00 H new ATOM 0 HG SER A 126 13.705 19.452 27.849 1.00 0.00 H new ATOM 1916 N GLY A 127 17.060 21.745 25.796 1.00 0.00 N ATOM 1917 CA GLY A 127 18.393 21.232 25.543 1.00 0.00 C ATOM 1918 C GLY A 127 18.885 21.560 24.147 1.00 0.00 C ATOM 1919 O GLY A 127 18.262 21.179 23.157 1.00 0.00 O ATOM 0 H GLY A 127 16.564 22.077 24.969 1.00 0.00 H new ATOM 0 HA2 GLY A 127 19.084 21.648 26.276 1.00 0.00 H new ATOM 0 HA3 GLY A 127 18.395 20.151 25.681 1.00 0.00 H new TER 1923 GLY A 127