USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1057 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 CYS SG : rot 172:sc= -2.87! USER MOD Set 1.2: B 108 CYS SG : rot -63:sc= -1.47 USER MOD Set 1.3: B 126 CYS SG : rot 113:sc= -2.69! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.63 K(o=-8.7,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot 22:sc= -4.98! USER MOD Set 2.2: B 82 CYS SG : rot -109:sc= -0.247 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.92 K(o=-9.7,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.464 K(o=-9.7,f=-12) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.2! C(o=-27!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.957 K(o=-27,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -157:sc= -1.2 (180deg=-3.28!) USER MOD Set 4.2: A 46 CYS SG : rot 18:sc= 0.622 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -177:sc= -0.349 (180deg=-0.48) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 11 THR OG1 : rot -126:sc= 1.03! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 163:sc= -2.57 USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.772 USER MOD Single : A 24 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc=-0.00911 (180deg=-0.167) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -16.6! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0516 K(o=-0.052,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 0.616 (180deg=-1.08!) USER MOD Single : A 59 ASN : amide:sc= -3.53! C(o=-3.5!,f=-8.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -174:sc= -5.3! USER MOD Single : A 71 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-1.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.15! K(o=-4.2!,f=-0.41) USER MOD Single : B 94 MET CE :methyl -159:sc= -1.24 (180deg=-3.28!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.105) USER MOD Single : B 97 GLN : amide:sc= -7.21! K(o=-7.2!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -149:sc= -1.16 (180deg=-2.71!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.203 (180deg=-0.875) USER MOD Single : B 115 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.61) USER MOD Single : B 117 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-0.99) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.755 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc= -0.001 (180deg=-0.217) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -101:sc= 0.652 USER MOD Single : B 131 ASN : amide:sc= -0.622 K(o=-0.62,f=-5.6!) USER MOD Single : B 132 GLN : amide:sc= -0.672 K(o=-0.67,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.859 -11.086 -27.647 1.00 0.00 N ATOM 2 CA GLN A 1 -10.686 -10.666 -28.463 1.00 0.00 C ATOM 3 C GLN A 1 -9.750 -9.811 -27.607 1.00 0.00 C ATOM 4 O GLN A 1 -8.787 -9.250 -28.093 1.00 0.00 O ATOM 5 CB GLN A 1 -11.163 -9.851 -29.666 1.00 0.00 C ATOM 6 CG GLN A 1 -12.140 -10.690 -30.494 1.00 0.00 C ATOM 7 CD GLN A 1 -12.380 -10.008 -31.843 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.921 -10.478 -32.865 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.085 -8.912 -31.889 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.470 -11.709 -28.213 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.530 -11.597 -26.803 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.397 -10.246 -27.355 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.154 -11.550 -28.813 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.648 -8.935 -29.329 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.312 -9.554 -30.279 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.737 -11.691 -30.647 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.083 -10.804 -29.959 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.470 -8.517 -31.031 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.251 -8.450 -32.783 1.00 0.00 H new ATOM 20 N GLY A 2 -10.025 -9.704 -26.336 1.00 0.00 N ATOM 21 CA GLY A 2 -9.150 -8.884 -25.451 1.00 0.00 C ATOM 22 C GLY A 2 -9.507 -9.151 -23.990 1.00 0.00 C ATOM 23 O GLY A 2 -10.133 -8.341 -23.333 1.00 0.00 O ATOM 0 H GLY A 2 -10.817 -10.149 -25.872 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.103 -9.128 -25.631 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.275 -7.825 -25.679 1.00 0.00 H new ATOM 27 N SER A 3 -9.113 -10.281 -23.469 1.00 0.00 N ATOM 28 CA SER A 3 -9.431 -10.598 -22.049 1.00 0.00 C ATOM 29 C SER A 3 -8.513 -11.717 -21.555 1.00 0.00 C ATOM 30 O SER A 3 -8.907 -12.555 -20.769 1.00 0.00 O ATOM 31 CB SER A 3 -10.889 -11.048 -21.940 1.00 0.00 C ATOM 32 OG SER A 3 -11.065 -12.245 -22.686 1.00 0.00 O ATOM 0 H SER A 3 -8.585 -10.998 -23.966 1.00 0.00 H new ATOM 0 HA SER A 3 -9.279 -9.709 -21.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.154 -11.214 -20.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.552 -10.269 -22.317 1.00 0.00 H new ATOM 0 HG SER A 3 -11.997 -12.539 -22.618 1.00 0.00 H new ATOM 38 N ARG A 4 -7.290 -11.736 -22.007 1.00 0.00 N ATOM 39 CA ARG A 4 -6.347 -12.799 -21.560 1.00 0.00 C ATOM 40 C ARG A 4 -5.932 -12.525 -20.113 1.00 0.00 C ATOM 41 O ARG A 4 -5.854 -11.389 -19.686 1.00 0.00 O ATOM 42 CB ARG A 4 -5.107 -12.797 -22.459 1.00 0.00 C ATOM 43 CG ARG A 4 -4.151 -13.911 -22.019 1.00 0.00 C ATOM 44 CD ARG A 4 -2.956 -13.979 -22.974 1.00 0.00 C ATOM 45 NE ARG A 4 -3.427 -13.961 -24.400 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.269 -14.851 -24.857 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.594 -15.889 -24.138 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.746 -14.729 -26.066 1.00 0.00 N ATOM 0 H ARG A 4 -6.903 -11.061 -22.667 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.834 -13.772 -21.624 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.399 -12.944 -23.499 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.606 -11.831 -22.402 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.805 -13.725 -21.002 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.674 -14.867 -22.008 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.289 -13.136 -22.793 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.382 -14.886 -22.785 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.081 -13.236 -25.028 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.190 -16.013 -23.209 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.252 -16.577 -24.504 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.462 -13.942 -26.649 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.403 -15.421 -26.427 1.00 0.00 H new ATOM 62 N VAL A 5 -5.664 -13.551 -19.354 1.00 0.00 N ATOM 63 CA VAL A 5 -5.253 -13.335 -17.938 1.00 0.00 C ATOM 64 C VAL A 5 -3.896 -12.628 -17.908 1.00 0.00 C ATOM 65 O VAL A 5 -2.857 -13.257 -17.943 1.00 0.00 O ATOM 66 CB VAL A 5 -5.147 -14.687 -17.229 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.867 -14.461 -15.741 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.462 -15.449 -17.390 1.00 0.00 C ATOM 0 H VAL A 5 -5.711 -14.526 -19.651 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.994 -12.718 -17.429 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.335 -15.266 -17.668 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.791 -15.423 -15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.930 -13.916 -15.626 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.680 -13.883 -15.302 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.388 -16.412 -16.886 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.274 -14.870 -16.950 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.663 -15.609 -18.449 1.00 0.00 H new ATOM 78 N LEU A 6 -3.906 -11.320 -17.828 1.00 0.00 N ATOM 79 CA LEU A 6 -2.630 -10.536 -17.778 1.00 0.00 C ATOM 80 C LEU A 6 -2.626 -9.725 -16.491 1.00 0.00 C ATOM 81 O LEU A 6 -1.712 -9.798 -15.691 1.00 0.00 O ATOM 82 CB LEU A 6 -2.562 -9.585 -18.980 1.00 0.00 C ATOM 83 CG LEU A 6 -2.335 -10.381 -20.279 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.804 -9.551 -21.480 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.844 -10.706 -20.456 1.00 0.00 C ATOM 0 H LEU A 6 -4.754 -10.754 -17.795 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.772 -11.208 -17.809 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.487 -9.013 -19.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.754 -8.867 -18.839 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.903 -11.310 -20.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.642 -10.116 -22.398 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.865 -9.326 -21.374 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.238 -8.620 -21.522 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.701 -11.269 -21.379 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.273 -9.779 -20.504 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.499 -11.301 -19.611 1.00 0.00 H new ATOM 97 N HIS A 7 -3.659 -8.951 -16.282 1.00 0.00 N ATOM 98 CA HIS A 7 -3.754 -8.128 -15.050 1.00 0.00 C ATOM 99 C HIS A 7 -5.218 -8.043 -14.621 1.00 0.00 C ATOM 100 O HIS A 7 -5.858 -7.023 -14.763 1.00 0.00 O ATOM 101 CB HIS A 7 -3.224 -6.720 -15.333 1.00 0.00 C ATOM 102 CG HIS A 7 -1.806 -6.810 -15.828 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.749 -7.124 -14.990 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.258 -6.628 -17.075 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.373 -7.121 -15.735 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.119 -6.827 -17.014 1.00 0.00 N ATOM 0 H HIS A 7 -4.447 -8.856 -16.922 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.162 -8.583 -14.256 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.850 -6.227 -16.077 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.267 -6.114 -14.428 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.809 -7.321 -13.991 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.811 -6.370 -17.966 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.359 -7.331 -15.346 1.00 0.00 H new ATOM 114 N VAL A 8 -5.752 -9.103 -14.078 1.00 0.00 N ATOM 115 CA VAL A 8 -7.171 -9.067 -13.629 1.00 0.00 C ATOM 116 C VAL A 8 -7.226 -8.144 -12.420 1.00 0.00 C ATOM 117 O VAL A 8 -6.213 -7.917 -11.791 1.00 0.00 O ATOM 118 CB VAL A 8 -7.617 -10.480 -13.238 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.027 -10.425 -12.653 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.620 -11.379 -14.477 1.00 0.00 C ATOM 0 H VAL A 8 -5.269 -9.988 -13.927 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.832 -8.708 -14.418 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.927 -10.883 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.345 -11.430 -12.375 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.030 -9.786 -11.770 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.714 -10.020 -13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.937 -12.383 -14.197 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.309 -10.974 -15.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.616 -11.420 -14.899 1.00 0.00 H new ATOM 130 N VAL A 9 -8.367 -7.580 -12.074 1.00 0.00 N ATOM 131 CA VAL A 9 -8.372 -6.656 -10.895 1.00 0.00 C ATOM 132 C VAL A 9 -9.682 -6.753 -10.111 1.00 0.00 C ATOM 133 O VAL A 9 -10.765 -6.683 -10.658 1.00 0.00 O ATOM 134 CB VAL A 9 -8.157 -5.205 -11.375 1.00 0.00 C ATOM 135 CG1 VAL A 9 -7.028 -5.155 -12.409 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.440 -4.678 -12.022 1.00 0.00 C ATOM 0 H VAL A 9 -9.264 -7.715 -12.541 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.561 -6.951 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.894 -4.589 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.884 -4.127 -12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.106 -5.523 -11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.289 -5.779 -13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.283 -3.653 -12.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.701 -5.305 -12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.250 -4.700 -11.294 1.00 0.00 H new ATOM 146 N GLN A 10 -9.571 -6.889 -8.817 1.00 0.00 N ATOM 147 CA GLN A 10 -10.775 -6.969 -7.940 1.00 0.00 C ATOM 148 C GLN A 10 -11.017 -5.601 -7.299 1.00 0.00 C ATOM 149 O GLN A 10 -10.127 -5.001 -6.727 1.00 0.00 O ATOM 150 CB GLN A 10 -10.543 -8.010 -6.843 1.00 0.00 C ATOM 151 CG GLN A 10 -11.812 -8.170 -6.007 1.00 0.00 C ATOM 152 CD GLN A 10 -11.559 -9.179 -4.883 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.537 -9.128 -4.227 1.00 0.00 O ATOM 154 NE2 GLN A 10 -12.450 -10.098 -4.632 1.00 0.00 N ATOM 0 H GLN A 10 -8.681 -6.949 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.642 -7.259 -8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.266 -8.966 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.713 -7.703 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.107 -7.208 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.635 -8.509 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.308 -10.141 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.289 -10.774 -3.885 1.00 0.00 H new ATOM 163 N THR A 11 -12.218 -5.103 -7.393 1.00 0.00 N ATOM 164 CA THR A 11 -12.540 -3.776 -6.799 1.00 0.00 C ATOM 165 C THR A 11 -12.377 -3.812 -5.292 1.00 0.00 C ATOM 166 O THR A 11 -12.495 -4.834 -4.647 1.00 0.00 O ATOM 167 CB THR A 11 -13.980 -3.424 -7.124 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.173 -3.493 -8.525 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.324 -2.014 -6.617 1.00 0.00 C ATOM 0 H THR A 11 -12.998 -5.564 -7.861 1.00 0.00 H new ATOM 0 HA THR A 11 -11.859 -3.032 -7.214 1.00 0.00 H new ATOM 0 HB THR A 11 -14.638 -4.136 -6.626 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.552 -2.648 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.361 -1.783 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.187 -1.973 -5.536 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.668 -1.286 -7.094 1.00 0.00 H new ATOM 177 N LEU A 12 -12.119 -2.672 -4.744 1.00 5.40 N ATOM 178 CA LEU A 12 -11.944 -2.525 -3.269 1.00 9.02 C ATOM 179 C LEU A 12 -13.098 -1.660 -2.762 1.00 10.54 C ATOM 180 O LEU A 12 -13.388 -1.626 -1.583 1.00 10.21 O ATOM 181 CB LEU A 12 -10.609 -1.800 -2.959 1.00 7.97 C ATOM 182 CG LEU A 12 -9.314 -2.590 -3.380 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.085 -1.704 -3.171 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.080 -3.888 -2.586 1.00 6.66 C ATOM 0 H LEU A 12 -12.017 -1.802 -5.267 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.932 -3.504 -2.791 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.610 -0.835 -3.466 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.562 -1.597 -1.889 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.465 -2.860 -4.425 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.188 -2.251 -3.462 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.176 -0.805 -3.781 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.013 -1.423 -2.120 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.168 -4.370 -2.938 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.980 -3.653 -1.526 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.925 -4.561 -2.731 1.00 6.66 H new ATOM 196 N TYR A 13 -13.761 -0.953 -3.645 1.00 12.19 N ATOM 197 CA TYR A 13 -14.898 -0.082 -3.194 1.00 12.32 C ATOM 198 C TYR A 13 -15.970 0.042 -4.305 1.00 14.17 C ATOM 199 O TYR A 13 -15.619 0.094 -5.468 1.00 14.79 O ATOM 200 CB TYR A 13 -14.357 1.315 -2.869 1.00 14.83 C ATOM 201 CG TYR A 13 -13.065 1.189 -2.096 1.00 15.75 C ATOM 202 CD1 TYR A 13 -13.092 0.887 -0.729 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.838 1.377 -2.745 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.896 0.774 -0.012 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.640 1.266 -2.028 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.671 0.963 -0.660 1.00 12.35 C ATOM 207 OH TYR A 13 -9.489 0.852 0.047 1.00 12.20 O ATOM 0 H TYR A 13 -13.570 -0.939 -4.647 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.355 -0.532 -2.313 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.189 1.875 -3.789 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.089 1.873 -2.285 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.037 0.741 -0.227 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.816 1.608 -3.800 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.919 0.541 1.042 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.694 1.414 -2.528 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.732 1.012 -0.554 1.00 12.20 H new ATOM 217 N PRO A 14 -17.253 0.120 -3.938 1.00 0.00 N ATOM 218 CA PRO A 14 -18.336 0.275 -4.937 1.00 0.00 C ATOM 219 C PRO A 14 -18.304 1.708 -5.493 1.00 0.00 C ATOM 220 O PRO A 14 -19.043 2.569 -5.056 1.00 0.00 O ATOM 221 CB PRO A 14 -19.636 0.036 -4.140 1.00 0.00 C ATOM 222 CG PRO A 14 -19.272 0.170 -2.638 1.00 0.00 C ATOM 223 CD PRO A 14 -17.735 0.056 -2.531 1.00 0.00 C ATOM 0 HA PRO A 14 -18.244 -0.409 -5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.400 0.762 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.043 -0.952 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.616 1.126 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.758 -0.611 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.318 0.866 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.439 -0.878 -2.053 1.00 0.00 H new ATOM 231 N PHE A 15 -17.449 1.977 -6.434 1.00 0.00 N ATOM 232 CA PHE A 15 -17.365 3.360 -6.990 1.00 0.00 C ATOM 233 C PHE A 15 -18.584 3.677 -7.849 1.00 0.00 C ATOM 234 O PHE A 15 -19.381 2.817 -8.170 1.00 0.00 O ATOM 235 CB PHE A 15 -16.116 3.496 -7.854 1.00 0.00 C ATOM 236 CG PHE A 15 -15.877 4.952 -8.227 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.734 5.935 -7.231 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.794 5.324 -9.580 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.511 7.270 -7.589 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.569 6.661 -9.931 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.428 7.633 -8.936 1.00 0.00 C ATOM 0 H PHE A 15 -16.803 1.303 -6.845 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.324 4.056 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.252 3.106 -7.316 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.226 2.897 -8.758 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.796 5.659 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.904 4.576 -10.351 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.403 8.022 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.504 6.942 -10.972 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.255 8.664 -9.208 1.00 0.00 H new ATOM 251 N SER A 16 -18.723 4.920 -8.231 1.00 0.00 N ATOM 252 CA SER A 16 -19.878 5.335 -9.084 1.00 0.00 C ATOM 253 C SER A 16 -19.391 6.291 -10.169 1.00 0.00 C ATOM 254 O SER A 16 -19.002 7.411 -9.906 1.00 0.00 O ATOM 255 CB SER A 16 -20.932 6.029 -8.221 1.00 0.00 C ATOM 256 OG SER A 16 -21.537 5.074 -7.359 1.00 0.00 O ATOM 0 H SER A 16 -18.080 5.673 -7.986 1.00 0.00 H new ATOM 0 HA SER A 16 -20.320 4.454 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.472 6.825 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.687 6.495 -8.854 1.00 0.00 H new ATOM 0 HG SER A 16 -22.212 5.516 -6.803 1.00 0.00 H new ATOM 262 N SER A 17 -19.411 5.839 -11.392 1.00 0.00 N ATOM 263 CA SER A 17 -18.957 6.678 -12.535 1.00 0.00 C ATOM 264 C SER A 17 -19.984 6.550 -13.658 1.00 0.00 C ATOM 265 O SER A 17 -20.128 5.503 -14.258 1.00 0.00 O ATOM 266 CB SER A 17 -17.577 6.174 -12.981 1.00 0.00 C ATOM 267 OG SER A 17 -16.791 7.277 -13.400 1.00 0.00 O ATOM 0 H SER A 17 -19.729 4.905 -11.652 1.00 0.00 H new ATOM 0 HA SER A 17 -18.872 7.729 -12.257 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.085 5.652 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.684 5.458 -13.796 1.00 0.00 H new ATOM 0 HG SER A 17 -15.847 7.016 -13.424 1.00 0.00 H new ATOM 273 N VAL A 18 -20.702 7.609 -13.953 1.00 0.00 N ATOM 274 CA VAL A 18 -21.723 7.553 -15.027 1.00 0.00 C ATOM 275 C VAL A 18 -21.527 8.733 -15.968 1.00 0.00 C ATOM 276 O VAL A 18 -22.041 9.818 -15.782 1.00 0.00 O ATOM 277 CB VAL A 18 -23.122 7.624 -14.395 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.447 6.292 -13.711 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.157 8.746 -13.354 1.00 0.00 C ATOM 0 H VAL A 18 -20.617 8.512 -13.487 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.622 6.623 -15.587 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.858 7.823 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.440 6.345 -13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.424 5.489 -14.448 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.709 6.092 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.149 8.796 -12.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.418 8.545 -12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.928 9.697 -13.836 1.00 0.00 H new ATOM 289 N THR A 19 -20.803 8.475 -16.994 1.00 38.32 N ATOM 290 CA THR A 19 -20.534 9.492 -18.052 1.00 37.06 C ATOM 291 C THR A 19 -20.485 8.768 -19.387 1.00 36.60 C ATOM 292 O THR A 19 -21.077 7.722 -19.567 1.00 36.42 O ATOM 293 CB THR A 19 -19.183 10.204 -17.804 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.985 10.361 -16.408 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.183 11.588 -18.471 1.00 37.86 C ATOM 0 H THR A 19 -20.363 7.570 -17.163 1.00 38.32 H new ATOM 0 HA THR A 19 -21.319 10.248 -18.042 1.00 37.06 H new ATOM 0 HB THR A 19 -18.381 9.601 -18.230 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.323 11.066 -16.249 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.227 12.079 -18.290 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.335 11.475 -19.544 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.987 12.193 -18.053 1.00 37.86 H new ATOM 303 N GLU A 20 -19.752 9.299 -20.301 1.00 36.33 N ATOM 304 CA GLU A 20 -19.600 8.680 -21.593 1.00 36.39 C ATOM 305 C GLU A 20 -18.515 7.601 -21.445 1.00 30.94 C ATOM 306 O GLU A 20 -18.713 6.455 -21.798 1.00 31.73 O ATOM 307 CB GLU A 20 -19.230 9.818 -22.549 1.00 41.00 C ATOM 308 CG GLU A 20 -20.402 10.719 -22.704 1.00 49.07 C ATOM 309 CD GLU A 20 -20.043 11.910 -23.592 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.931 11.940 -24.092 1.00 55.13 O ATOM 311 OE2 GLU A 20 -20.889 12.775 -23.759 1.00 54.38 O ATOM 0 H GLU A 20 -19.237 10.172 -20.186 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.489 8.183 -21.982 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.377 10.374 -22.161 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.934 9.415 -23.518 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.236 10.170 -23.141 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.730 11.072 -21.726 1.00 49.07 H new ATOM 318 N GLU A 21 -17.358 7.974 -20.960 1.00 0.00 N ATOM 319 CA GLU A 21 -16.239 7.031 -20.815 1.00 0.00 C ATOM 320 C GLU A 21 -15.977 6.717 -19.325 1.00 0.00 C ATOM 321 O GLU A 21 -14.860 6.435 -18.936 1.00 0.00 O ATOM 322 CB GLU A 21 -15.036 7.747 -21.437 1.00 0.00 C ATOM 323 CG GLU A 21 -15.273 7.912 -22.929 1.00 0.00 C ATOM 324 CD GLU A 21 -14.124 8.700 -23.561 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.202 9.046 -22.840 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.183 8.941 -24.754 1.00 0.00 O ATOM 0 H GLU A 21 -17.150 8.924 -20.653 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.443 6.076 -21.300 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.895 8.721 -20.969 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.125 7.174 -21.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.356 6.934 -23.402 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.217 8.430 -23.100 1.00 0.00 H new ATOM 333 N GLU A 22 -16.986 6.770 -18.489 1.00 0.00 N ATOM 334 CA GLU A 22 -16.781 6.487 -17.026 1.00 0.00 C ATOM 335 C GLU A 22 -17.230 5.045 -16.706 1.00 0.00 C ATOM 336 O GLU A 22 -18.087 4.493 -17.366 1.00 0.00 O ATOM 337 CB GLU A 22 -17.598 7.519 -16.216 1.00 0.00 C ATOM 338 CG GLU A 22 -16.699 8.683 -15.748 1.00 0.00 C ATOM 339 CD GLU A 22 -16.116 9.403 -16.964 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.292 8.903 -18.065 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.502 10.440 -16.777 1.00 0.00 O ATOM 0 H GLU A 22 -17.945 6.997 -18.753 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.727 6.573 -16.760 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.413 7.906 -16.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.051 7.033 -15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.277 9.381 -15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.895 8.304 -15.117 1.00 0.00 H new ATOM 348 N LEU A 23 -16.624 4.427 -15.707 1.00 11.68 N ATOM 349 CA LEU A 23 -16.972 3.003 -15.343 1.00 7.71 C ATOM 350 C LEU A 23 -17.683 2.947 -13.981 1.00 8.71 C ATOM 351 O LEU A 23 -17.073 3.162 -12.952 1.00 10.83 O ATOM 352 CB LEU A 23 -15.660 2.186 -15.240 1.00 7.16 C ATOM 353 CG LEU A 23 -15.890 0.653 -15.317 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.180 0.222 -14.612 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.948 0.195 -16.770 1.00 2.00 C ATOM 0 H LEU A 23 -15.900 4.850 -15.126 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.633 2.596 -16.108 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.987 2.487 -16.043 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.162 2.426 -14.300 1.00 7.16 H new ATOM 0 HG LEU A 23 -15.048 0.186 -14.807 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.296 -0.859 -14.694 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.131 0.503 -13.560 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -18.032 0.715 -15.080 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.110 -0.882 -16.806 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.768 0.702 -17.279 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -15.008 0.437 -17.266 1.00 2.00 H new ATOM 367 N ASN A 24 -18.946 2.613 -13.955 1.00 0.00 N ATOM 368 CA ASN A 24 -19.663 2.485 -12.647 1.00 0.00 C ATOM 369 C ASN A 24 -19.612 1.007 -12.269 1.00 0.00 C ATOM 370 O ASN A 24 -19.954 0.160 -13.070 1.00 0.00 O ATOM 371 CB ASN A 24 -21.127 2.929 -12.800 1.00 0.00 C ATOM 372 CG ASN A 24 -21.949 2.460 -11.595 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.091 2.074 -11.737 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.410 2.473 -10.406 1.00 0.00 N ATOM 0 H ASN A 24 -19.514 2.423 -14.781 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.200 3.110 -11.883 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.179 4.014 -12.885 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.546 2.517 -13.718 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.948 2.159 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.450 2.797 -10.285 1.00 0.00 H new ATOM 381 N PHE A 25 -19.170 0.660 -11.086 1.00 6.72 N ATOM 382 CA PHE A 25 -19.098 -0.787 -10.756 1.00 6.82 C ATOM 383 C PHE A 25 -19.221 -1.008 -9.259 1.00 7.56 C ATOM 384 O PHE A 25 -18.711 -0.253 -8.454 1.00 6.07 O ATOM 385 CB PHE A 25 -17.780 -1.377 -11.281 1.00 9.59 C ATOM 386 CG PHE A 25 -16.550 -0.635 -10.744 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.350 0.737 -10.991 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.576 -1.348 -10.033 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.197 1.375 -10.520 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.424 -0.706 -9.571 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.237 0.655 -9.810 1.00 12.44 C ATOM 0 H PHE A 25 -18.864 1.301 -10.354 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.932 -1.296 -11.240 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.718 -2.428 -10.999 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.777 -1.339 -12.370 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.088 1.298 -11.545 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.716 -2.401 -9.841 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.050 2.429 -10.707 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.677 -1.265 -9.028 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.350 1.151 -9.446 1.00 12.44 H new ATOM 401 N GLU A 26 -19.904 -2.054 -8.885 1.00 0.00 N ATOM 402 CA GLU A 26 -20.080 -2.361 -7.445 1.00 0.00 C ATOM 403 C GLU A 26 -18.855 -3.130 -6.971 1.00 0.00 C ATOM 404 O GLU A 26 -18.165 -3.758 -7.749 1.00 0.00 O ATOM 405 CB GLU A 26 -21.356 -3.193 -7.239 1.00 0.00 C ATOM 406 CG GLU A 26 -21.148 -4.639 -7.714 1.00 0.00 C ATOM 407 CD GLU A 26 -20.546 -4.642 -9.121 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.048 -3.908 -9.959 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.596 -5.373 -9.337 1.00 0.00 O ATOM 0 H GLU A 26 -20.350 -2.713 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.182 -1.441 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.632 -3.188 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.183 -2.741 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.488 -5.166 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.099 -5.171 -7.714 1.00 0.00 H new ATOM 416 N LYS A 27 -18.570 -3.081 -5.710 1.00 8.66 N ATOM 417 CA LYS A 27 -17.387 -3.803 -5.207 1.00 8.68 C ATOM 418 C LYS A 27 -17.479 -5.275 -5.602 1.00 6.65 C ATOM 419 O LYS A 27 -18.552 -5.839 -5.694 1.00 10.38 O ATOM 420 CB LYS A 27 -17.333 -3.632 -3.690 1.00 12.96 C ATOM 421 CG LYS A 27 -18.418 -4.489 -2.999 1.00 12.48 C ATOM 422 CD LYS A 27 -17.816 -5.815 -2.491 1.00 20.52 C ATOM 423 CE LYS A 27 -17.158 -5.600 -1.124 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.215 -5.505 -0.076 1.00 29.03 N ATOM 0 H LYS A 27 -19.106 -2.572 -5.007 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.472 -3.402 -5.642 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.348 -3.920 -3.322 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.475 -2.582 -3.433 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.850 -3.936 -2.165 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.228 -4.695 -3.699 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.596 -6.572 -2.414 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.080 -6.187 -3.204 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.481 -6.424 -0.900 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.559 -4.690 -1.136 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.794 -5.682 0.859 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.635 -4.554 -0.092 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.954 -6.213 -0.263 1.00 29.03 H new ATOM 438 N GLY A 28 -16.360 -5.899 -5.854 1.00 5.06 N ATOM 439 CA GLY A 28 -16.379 -7.333 -6.266 1.00 4.39 C ATOM 440 C GLY A 28 -16.611 -7.421 -7.776 1.00 6.18 C ATOM 441 O GLY A 28 -17.397 -8.223 -8.242 1.00 5.61 O ATOM 0 H GLY A 28 -15.433 -5.478 -5.792 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.436 -7.812 -6.003 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.167 -7.866 -5.734 1.00 4.39 H new ATOM 445 N GLU A 29 -15.934 -6.597 -8.543 1.00 7.06 N ATOM 446 CA GLU A 29 -16.108 -6.615 -10.034 1.00 6.19 C ATOM 447 C GLU A 29 -14.771 -6.948 -10.699 1.00 6.67 C ATOM 448 O GLU A 29 -13.831 -6.182 -10.640 1.00 8.12 O ATOM 449 CB GLU A 29 -16.558 -5.215 -10.502 1.00 6.64 C ATOM 450 CG GLU A 29 -17.157 -5.212 -11.943 1.00 9.52 C ATOM 451 CD GLU A 29 -16.845 -6.507 -12.708 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.581 -7.466 -12.537 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.886 -6.512 -13.454 1.00 8.99 O ATOM 0 H GLU A 29 -15.265 -5.909 -8.199 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.853 -7.363 -10.306 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.302 -4.828 -9.806 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.706 -4.536 -10.468 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.237 -5.079 -11.884 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.760 -4.361 -12.497 1.00 9.52 H new ATOM 460 N THR A 30 -14.685 -8.066 -11.357 1.00 0.00 N ATOM 461 CA THR A 30 -13.418 -8.423 -12.052 1.00 0.00 C ATOM 462 C THR A 30 -13.305 -7.535 -13.275 1.00 0.00 C ATOM 463 O THR A 30 -14.041 -7.713 -14.225 1.00 0.00 O ATOM 464 CB THR A 30 -13.514 -9.871 -12.538 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.080 -10.679 -11.516 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.122 -10.385 -12.890 1.00 0.00 C ATOM 0 H THR A 30 -15.437 -8.750 -11.445 1.00 0.00 H new ATOM 0 HA THR A 30 -12.565 -8.301 -11.384 1.00 0.00 H new ATOM 0 HB THR A 30 -14.148 -9.915 -13.424 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.143 -11.606 -11.829 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.192 -11.416 -13.236 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.694 -9.766 -13.678 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.484 -10.341 -12.007 1.00 0.00 H new ATOM 474 N MET A 31 -12.410 -6.583 -13.286 1.00 0.00 N ATOM 475 CA MET A 31 -12.303 -5.712 -14.489 1.00 0.00 C ATOM 476 C MET A 31 -11.074 -6.070 -15.298 1.00 0.00 C ATOM 477 O MET A 31 -9.986 -6.269 -14.798 1.00 0.00 O ATOM 478 CB MET A 31 -12.321 -4.232 -14.080 1.00 0.00 C ATOM 479 CG MET A 31 -13.758 -3.841 -13.628 1.00 0.00 C ATOM 480 SD MET A 31 -13.714 -3.159 -11.950 1.00 0.00 S ATOM 481 CE MET A 31 -13.127 -1.508 -12.403 1.00 0.00 C ATOM 0 H MET A 31 -11.760 -6.374 -12.528 1.00 0.00 H new ATOM 0 HA MET A 31 -13.168 -5.881 -15.130 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.613 -4.058 -13.270 1.00 0.00 H new ATOM 0 HB3 MET A 31 -12.008 -3.608 -14.917 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.178 -3.108 -14.317 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.408 -4.715 -13.657 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.643 -1.045 -11.543 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.412 -1.588 -13.222 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.972 -0.895 -12.717 1.00 0.00 H new ATOM 491 N GLU A 32 -11.299 -6.171 -16.565 1.00 0.00 N ATOM 492 CA GLU A 32 -10.249 -6.542 -17.532 1.00 0.00 C ATOM 493 C GLU A 32 -9.601 -5.245 -18.020 1.00 0.00 C ATOM 494 O GLU A 32 -10.167 -4.506 -18.799 1.00 0.00 O ATOM 495 CB GLU A 32 -10.930 -7.322 -18.687 1.00 0.00 C ATOM 496 CG GLU A 32 -12.473 -7.211 -18.567 1.00 0.00 C ATOM 497 CD GLU A 32 -13.117 -7.749 -19.845 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.412 -7.875 -20.831 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.306 -8.029 -19.814 1.00 0.00 O ATOM 0 H GLU A 32 -12.211 -6.003 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.476 -7.176 -17.098 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.602 -6.924 -19.648 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.629 -8.369 -18.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.824 -7.776 -17.703 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.764 -6.172 -18.409 1.00 0.00 H new ATOM 506 N VAL A 33 -8.437 -4.945 -17.521 1.00 0.00 N ATOM 507 CA VAL A 33 -7.770 -3.672 -17.903 1.00 0.00 C ATOM 508 C VAL A 33 -7.447 -3.634 -19.404 1.00 0.00 C ATOM 509 O VAL A 33 -6.394 -4.069 -19.827 1.00 0.00 O ATOM 510 CB VAL A 33 -6.472 -3.519 -17.101 1.00 0.00 C ATOM 511 CG1 VAL A 33 -6.051 -2.045 -17.080 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.704 -3.995 -15.665 1.00 0.00 C ATOM 0 H VAL A 33 -7.918 -5.527 -16.864 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.452 -2.851 -17.682 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.688 -4.116 -17.566 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.128 -1.938 -16.510 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.889 -1.698 -18.101 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.836 -1.449 -16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.783 -3.887 -15.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.489 -3.395 -15.205 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.006 -5.042 -15.673 1.00 0.00 H new ATOM 522 N ILE A 34 -8.329 -3.099 -20.212 1.00 0.00 N ATOM 523 CA ILE A 34 -8.033 -3.024 -21.681 1.00 0.00 C ATOM 524 C ILE A 34 -6.755 -2.201 -21.926 1.00 0.00 C ATOM 525 O ILE A 34 -5.875 -2.614 -22.655 1.00 0.00 O ATOM 526 CB ILE A 34 -9.182 -2.343 -22.448 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.434 -3.236 -22.428 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.744 -2.102 -23.906 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.626 -2.503 -23.071 1.00 0.00 C ATOM 0 H ILE A 34 -9.230 -2.715 -19.926 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.908 -4.047 -22.036 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.419 -1.392 -21.971 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.236 -4.163 -22.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.678 -3.509 -21.401 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.554 -1.620 -24.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.863 -1.460 -23.920 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.505 -3.056 -24.376 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.504 -3.148 -23.049 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.833 -1.589 -22.515 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.385 -2.253 -24.104 1.00 0.00 H new ATOM 541 N GLU A 35 -6.665 -1.021 -21.358 1.00 0.00 N ATOM 542 CA GLU A 35 -5.466 -0.160 -21.604 1.00 0.00 C ATOM 543 C GLU A 35 -5.141 0.673 -20.382 1.00 0.00 C ATOM 544 O GLU A 35 -5.970 0.898 -19.522 1.00 0.00 O ATOM 545 CB GLU A 35 -5.748 0.773 -22.795 1.00 0.00 C ATOM 546 CG GLU A 35 -4.430 1.236 -23.426 1.00 0.00 C ATOM 547 CD GLU A 35 -3.836 0.103 -24.266 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.557 -0.443 -25.083 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.669 -0.202 -24.076 1.00 0.00 O ATOM 0 H GLU A 35 -7.368 -0.619 -20.737 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.614 -0.803 -21.823 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.353 0.254 -23.538 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.324 1.637 -22.462 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.602 2.113 -24.050 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.727 1.532 -22.648 1.00 0.00 H new ATOM 556 N LYS A 36 -3.908 1.104 -20.289 1.00 0.00 N ATOM 557 CA LYS A 36 -3.467 1.901 -19.114 1.00 0.00 C ATOM 558 C LYS A 36 -2.631 3.116 -19.560 1.00 0.00 C ATOM 559 O LYS A 36 -1.465 3.206 -19.231 1.00 0.00 O ATOM 560 CB LYS A 36 -2.597 0.980 -18.230 1.00 0.00 C ATOM 561 CG LYS A 36 -3.174 -0.460 -18.214 1.00 0.00 C ATOM 562 CD LYS A 36 -2.534 -1.323 -19.316 1.00 0.00 C ATOM 563 CE LYS A 36 -3.380 -2.588 -19.546 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.783 -2.222 -19.885 1.00 0.00 N ATOM 0 H LYS A 36 -3.184 0.933 -20.987 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.336 2.270 -18.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.574 0.964 -18.607 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.556 1.373 -17.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.996 -0.916 -17.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.254 -0.424 -18.356 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.460 -0.751 -20.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.519 -1.600 -19.030 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.947 -3.180 -20.352 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.366 -3.210 -18.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.433 -2.924 -19.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.000 -1.282 -19.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.897 -2.203 -20.919 1.00 0.00 H new ATOM 578 N PRO A 37 -3.250 4.046 -20.260 1.00 0.00 N ATOM 579 CA PRO A 37 -2.563 5.267 -20.696 1.00 0.00 C ATOM 580 C PRO A 37 -2.394 6.195 -19.500 1.00 0.00 C ATOM 581 O PRO A 37 -3.023 6.033 -18.474 1.00 0.00 O ATOM 582 CB PRO A 37 -3.495 5.908 -21.735 1.00 0.00 C ATOM 583 CG PRO A 37 -4.864 5.205 -21.593 1.00 0.00 C ATOM 584 CD PRO A 37 -4.658 3.957 -20.695 1.00 0.00 C ATOM 0 HA PRO A 37 -1.575 5.068 -21.112 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.590 6.980 -21.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.097 5.782 -22.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.597 5.879 -21.150 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.249 4.914 -22.571 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.338 3.964 -19.843 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.846 3.036 -21.246 1.00 0.00 H new ATOM 592 N GLU A 38 -1.562 7.172 -19.640 1.00 0.00 N ATOM 593 CA GLU A 38 -1.352 8.142 -18.525 1.00 0.00 C ATOM 594 C GLU A 38 -2.318 9.310 -18.719 1.00 0.00 C ATOM 595 O GLU A 38 -2.993 9.717 -17.800 1.00 0.00 O ATOM 596 CB GLU A 38 0.094 8.651 -18.558 1.00 0.00 C ATOM 597 CG GLU A 38 0.409 9.440 -17.277 1.00 0.00 C ATOM 598 CD GLU A 38 -0.167 10.856 -17.368 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.576 11.247 -18.449 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.184 11.527 -16.351 1.00 0.00 O ATOM 0 H GLU A 38 -1.010 7.350 -20.479 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.535 7.662 -17.563 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.781 7.810 -18.654 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.244 9.286 -19.431 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.010 8.925 -16.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.488 9.488 -17.128 1.00 0.00 H new ATOM 607 N ASN A 39 -2.390 9.818 -19.929 1.00 0.00 N ATOM 608 CA ASN A 39 -3.303 10.950 -20.267 1.00 0.00 C ATOM 609 C ASN A 39 -2.997 12.156 -19.378 1.00 0.00 C ATOM 610 O ASN A 39 -2.632 13.213 -19.851 1.00 0.00 O ATOM 611 CB ASN A 39 -4.766 10.513 -20.074 1.00 0.00 C ATOM 612 CG ASN A 39 -5.223 9.687 -21.280 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.471 9.481 -22.211 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.436 9.204 -21.301 1.00 0.00 N ATOM 0 H ASN A 39 -1.835 9.482 -20.716 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.148 11.233 -21.308 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.862 9.925 -19.161 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.405 11.389 -19.958 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.752 8.654 -22.099 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.067 9.377 -20.519 1.00 0.00 H new ATOM 621 N ASP A 40 -3.109 11.975 -18.097 1.00 0.00 N ATOM 622 CA ASP A 40 -2.809 13.068 -17.123 1.00 0.00 C ATOM 623 C ASP A 40 -3.339 12.758 -15.698 1.00 0.00 C ATOM 624 O ASP A 40 -2.619 12.928 -14.734 1.00 0.00 O ATOM 625 CB ASP A 40 -3.315 14.460 -17.624 1.00 0.00 C ATOM 626 CG ASP A 40 -2.134 15.316 -18.106 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.200 14.749 -18.651 1.00 0.00 O ATOM 628 OD2 ASP A 40 -2.186 16.522 -17.925 1.00 0.00 O ATOM 0 H ASP A 40 -3.402 11.097 -17.669 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.722 13.119 -17.055 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.029 14.324 -18.436 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.841 14.974 -16.820 1.00 0.00 H new ATOM 633 N PRO A 41 -4.562 12.330 -15.602 1.00 0.00 N ATOM 634 CA PRO A 41 -5.191 12.011 -14.309 1.00 0.00 C ATOM 635 C PRO A 41 -4.538 10.764 -13.701 1.00 0.00 C ATOM 636 O PRO A 41 -3.996 10.827 -12.619 1.00 0.00 O ATOM 637 CB PRO A 41 -6.677 11.749 -14.657 1.00 0.00 C ATOM 638 CG PRO A 41 -6.806 11.827 -16.206 1.00 0.00 C ATOM 639 CD PRO A 41 -5.401 12.134 -16.765 1.00 0.00 C ATOM 0 HA PRO A 41 -5.080 12.808 -13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.991 10.771 -14.293 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.320 12.488 -14.179 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.183 10.887 -16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.513 12.604 -16.495 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.034 11.313 -17.381 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.414 13.023 -17.395 1.00 0.00 H new ATOM 647 N GLU A 42 -4.607 9.651 -14.421 1.00 0.00 N ATOM 648 CA GLU A 42 -4.021 8.325 -13.983 1.00 0.00 C ATOM 649 C GLU A 42 -5.086 7.223 -14.179 1.00 0.00 C ATOM 650 O GLU A 42 -4.921 6.100 -13.753 1.00 0.00 O ATOM 651 CB GLU A 42 -3.567 8.343 -12.506 1.00 0.00 C ATOM 652 CG GLU A 42 -2.154 8.950 -12.381 1.00 0.00 C ATOM 653 CD GLU A 42 -1.133 8.051 -13.089 1.00 0.00 C ATOM 654 OE1 GLU A 42 -1.510 6.965 -13.492 1.00 0.00 O ATOM 655 OE2 GLU A 42 0.007 8.470 -13.216 1.00 0.00 O ATOM 0 H GLU A 42 -5.065 9.609 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.138 8.129 -14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.272 8.923 -11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.570 7.329 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.138 9.948 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.888 9.059 -11.330 1.00 0.00 H new ATOM 662 N TRP A 43 -6.178 7.538 -14.829 1.00 14.29 N ATOM 663 CA TRP A 43 -7.246 6.516 -15.050 1.00 10.30 C ATOM 664 C TRP A 43 -6.792 5.478 -16.083 1.00 6.82 C ATOM 665 O TRP A 43 -5.819 5.670 -16.782 1.00 6.91 O ATOM 666 CB TRP A 43 -8.516 7.206 -15.541 1.00 13.39 C ATOM 667 CG TRP A 43 -8.810 8.410 -14.707 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.264 8.678 -13.498 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.721 9.509 -14.994 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.780 9.866 -13.030 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.680 10.418 -13.914 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.568 9.805 -16.077 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.447 11.575 -13.902 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.347 10.974 -16.068 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.287 11.857 -14.983 1.00 8.17 C ATOM 0 H TRP A 43 -6.376 8.460 -15.217 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.445 6.006 -14.107 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.398 7.498 -16.584 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.355 6.512 -15.497 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.542 8.061 -12.984 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.526 10.286 -12.136 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.620 9.131 -16.919 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.395 12.253 -13.063 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.996 11.193 -16.903 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.888 12.754 -14.981 1.00 8.17 H new ATOM 686 N TRP A 44 -7.497 4.371 -16.170 1.00 6.17 N ATOM 687 CA TRP A 44 -7.131 3.279 -17.133 1.00 5.58 C ATOM 688 C TRP A 44 -8.371 2.883 -17.944 1.00 6.91 C ATOM 689 O TRP A 44 -9.465 2.824 -17.418 1.00 8.86 O ATOM 690 CB TRP A 44 -6.712 2.020 -16.334 1.00 2.99 C ATOM 691 CG TRP A 44 -5.291 2.049 -15.828 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.337 2.982 -16.085 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.654 1.057 -14.966 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.171 2.620 -15.430 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.317 1.443 -14.733 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.111 -0.133 -14.368 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.460 0.681 -13.937 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.253 -0.905 -13.567 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.929 -0.498 -13.354 1.00 11.72 C ATOM 0 H TRP A 44 -8.324 4.176 -15.605 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.327 3.632 -17.779 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.385 1.903 -15.485 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.842 1.142 -16.967 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.466 3.861 -16.699 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.307 3.162 -15.461 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.130 -0.455 -14.526 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.442 1.001 -13.773 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.615 -1.816 -13.114 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.272 -1.096 -12.740 1.00 11.72 H new ATOM 710 N LYS A 45 -8.210 2.532 -19.196 1.00 0.00 N ATOM 711 CA LYS A 45 -9.394 2.058 -19.958 1.00 0.00 C ATOM 712 C LYS A 45 -9.601 0.624 -19.528 1.00 0.00 C ATOM 713 O LYS A 45 -8.939 -0.267 -20.020 1.00 0.00 O ATOM 714 CB LYS A 45 -9.153 2.075 -21.473 1.00 0.00 C ATOM 715 CG LYS A 45 -10.481 1.728 -22.207 1.00 0.00 C ATOM 716 CD LYS A 45 -10.278 1.794 -23.738 1.00 0.00 C ATOM 717 CE LYS A 45 -11.590 1.469 -24.461 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.378 1.540 -25.935 1.00 0.00 N ATOM 0 H LYS A 45 -7.329 2.554 -19.710 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.248 2.705 -19.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.797 3.057 -21.786 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.378 1.355 -21.738 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.814 0.731 -21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.264 2.424 -21.906 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.933 2.788 -24.024 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.504 1.089 -24.040 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.935 0.474 -24.180 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.367 2.172 -24.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.269 1.319 -26.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.068 2.498 -26.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.650 0.852 -26.214 1.00 0.00 H new ATOM 732 N CYS A 46 -10.472 0.385 -18.594 1.00 0.00 N ATOM 733 CA CYS A 46 -10.678 -1.009 -18.110 1.00 0.00 C ATOM 734 C CYS A 46 -12.079 -1.472 -18.425 1.00 0.00 C ATOM 735 O CYS A 46 -13.056 -0.830 -18.095 1.00 0.00 O ATOM 736 CB CYS A 46 -10.449 -1.062 -16.598 1.00 0.00 C ATOM 737 SG CYS A 46 -11.850 -0.293 -15.745 1.00 0.00 S ATOM 0 H CYS A 46 -11.052 1.092 -18.143 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.969 -1.667 -18.613 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.335 -2.096 -16.273 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.525 -0.544 -16.341 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.864 -0.218 -16.556 1.00 0.00 H new ATOM 743 N LYS A 47 -12.183 -2.610 -19.035 1.00 0.00 N ATOM 744 CA LYS A 47 -13.515 -3.153 -19.341 1.00 0.00 C ATOM 745 C LYS A 47 -14.000 -3.841 -18.082 1.00 0.00 C ATOM 746 O LYS A 47 -13.191 -4.339 -17.328 1.00 0.00 O ATOM 747 CB LYS A 47 -13.405 -4.178 -20.471 1.00 0.00 C ATOM 748 CG LYS A 47 -14.693 -5.002 -20.574 1.00 0.00 C ATOM 749 CD LYS A 47 -14.726 -5.741 -21.914 1.00 0.00 C ATOM 750 CE LYS A 47 -16.049 -6.496 -22.047 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.202 -6.996 -23.443 1.00 0.00 N ATOM 0 H LYS A 47 -11.397 -3.187 -19.334 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.200 -2.366 -19.654 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.216 -3.668 -21.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.557 -4.838 -20.290 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.746 -5.716 -19.752 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.562 -4.350 -20.486 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.615 -5.033 -22.735 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.890 -6.437 -21.978 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.075 -7.331 -21.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.881 -5.840 -21.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.102 -7.509 -23.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.196 -6.192 -24.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.415 -7.636 -23.671 1.00 0.00 H new ATOM 765 N ASN A 48 -15.286 -3.908 -17.819 1.00 0.00 N ATOM 766 CA ASN A 48 -15.699 -4.649 -16.570 1.00 0.00 C ATOM 767 C ASN A 48 -16.070 -6.069 -16.990 1.00 0.00 C ATOM 768 O ASN A 48 -16.807 -6.247 -17.931 1.00 0.00 O ATOM 769 CB ASN A 48 -16.829 -3.918 -15.795 1.00 0.00 C ATOM 770 CG ASN A 48 -18.232 -4.027 -16.417 1.00 0.00 C ATOM 771 OD1 ASN A 48 -19.045 -3.153 -16.202 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.591 -5.061 -17.111 1.00 0.00 N ATOM 0 H ASN A 48 -16.038 -3.506 -18.379 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.875 -4.686 -15.857 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.868 -4.316 -14.781 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.567 -2.863 -15.713 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.544 -5.130 -17.467 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.920 -5.805 -17.301 1.00 0.00 H new ATOM 779 N ALA A 49 -15.534 -7.112 -16.366 1.00 0.00 N ATOM 780 CA ALA A 49 -15.905 -8.471 -16.844 1.00 0.00 C ATOM 781 C ALA A 49 -17.427 -8.548 -16.904 1.00 0.00 C ATOM 782 O ALA A 49 -17.994 -9.379 -17.588 1.00 0.00 O ATOM 783 CB ALA A 49 -15.369 -9.540 -15.893 1.00 0.00 C ATOM 0 H ALA A 49 -14.884 -7.071 -15.581 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.472 -8.649 -17.828 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.651 -10.527 -16.259 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.283 -9.469 -15.841 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.791 -9.388 -14.900 1.00 0.00 H new ATOM 789 N ARG A 50 -18.095 -7.653 -16.220 1.00 0.00 N ATOM 790 CA ARG A 50 -19.576 -7.646 -16.275 1.00 0.00 C ATOM 791 C ARG A 50 -19.949 -7.311 -17.718 1.00 0.00 C ATOM 792 O ARG A 50 -21.094 -7.353 -18.119 1.00 0.00 O ATOM 793 CB ARG A 50 -20.141 -6.612 -15.271 1.00 0.00 C ATOM 794 CG ARG A 50 -20.593 -7.325 -13.972 1.00 0.00 C ATOM 795 CD ARG A 50 -20.710 -6.328 -12.782 1.00 0.00 C ATOM 796 NE ARG A 50 -22.071 -6.414 -12.145 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.172 -6.304 -12.844 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.123 -6.032 -14.118 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.330 -6.439 -12.257 1.00 0.00 N ATOM 0 H ARG A 50 -17.676 -6.934 -15.631 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.002 -8.609 -15.992 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.382 -5.865 -15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.983 -6.083 -15.717 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.555 -7.809 -14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.880 -8.111 -13.721 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.942 -6.548 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.532 -5.312 -13.134 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.137 -6.563 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.222 -5.903 -14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.986 -5.948 -14.655 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.375 -6.630 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.190 -6.354 -12.799 1.00 0.00 H new ATOM 813 N GLY A 51 -18.944 -7.028 -18.504 1.00 8.07 N ATOM 814 CA GLY A 51 -19.134 -6.734 -19.943 1.00 7.79 C ATOM 815 C GLY A 51 -19.277 -5.228 -20.216 1.00 9.08 C ATOM 816 O GLY A 51 -19.995 -4.843 -21.119 1.00 14.41 O ATOM 0 H GLY A 51 -17.973 -6.989 -18.193 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.287 -7.124 -20.506 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.022 -7.252 -20.303 1.00 7.79 H new ATOM 820 N GLN A 52 -18.607 -4.360 -19.473 1.00 0.00 N ATOM 821 CA GLN A 52 -18.743 -2.879 -19.766 1.00 0.00 C ATOM 822 C GLN A 52 -17.400 -2.162 -19.689 1.00 0.00 C ATOM 823 O GLN A 52 -16.446 -2.683 -19.196 1.00 0.00 O ATOM 824 CB GLN A 52 -19.826 -2.246 -18.842 1.00 0.00 C ATOM 825 CG GLN A 52 -19.273 -1.076 -18.010 1.00 0.00 C ATOM 826 CD GLN A 52 -20.323 -0.613 -17.021 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.767 -1.363 -16.176 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.741 0.615 -17.097 1.00 0.00 N ATOM 0 H GLN A 52 -17.989 -4.602 -18.698 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.082 -2.756 -20.795 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.659 -1.894 -19.451 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.221 -3.010 -18.173 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.373 -1.387 -17.480 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.989 -0.253 -18.666 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.363 1.239 -17.810 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.447 0.955 -16.444 1.00 0.00 H new ATOM 837 N VAL A 53 -17.317 -0.957 -20.228 1.00 0.00 N ATOM 838 CA VAL A 53 -16.009 -0.225 -20.224 1.00 0.00 C ATOM 839 C VAL A 53 -16.152 1.225 -19.764 1.00 0.00 C ATOM 840 O VAL A 53 -17.192 1.843 -19.875 1.00 0.00 O ATOM 841 CB VAL A 53 -15.421 -0.233 -21.645 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.927 0.089 -21.594 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.630 -1.605 -22.298 1.00 0.00 C ATOM 0 H VAL A 53 -18.093 -0.459 -20.664 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.352 -0.737 -19.521 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.933 0.525 -22.238 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.518 0.081 -22.604 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.782 1.075 -21.152 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.414 -0.659 -20.990 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.209 -1.597 -23.303 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.133 -2.371 -21.703 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.697 -1.823 -22.353 1.00 0.00 H new ATOM 853 N GLY A 54 -15.073 1.756 -19.246 1.00 3.62 N ATOM 854 CA GLY A 54 -15.054 3.166 -18.758 1.00 3.70 C ATOM 855 C GLY A 54 -13.727 3.435 -18.036 1.00 4.69 C ATOM 856 O GLY A 54 -13.080 2.528 -17.547 1.00 7.25 O ATOM 0 H GLY A 54 -14.188 1.260 -19.140 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.172 3.854 -19.595 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.891 3.340 -18.082 1.00 3.70 H new ATOM 860 N LEU A 55 -13.326 4.673 -17.952 1.00 0.00 N ATOM 861 CA LEU A 55 -12.051 5.009 -17.248 1.00 0.00 C ATOM 862 C LEU A 55 -12.265 4.838 -15.738 1.00 0.00 C ATOM 863 O LEU A 55 -13.362 4.991 -15.240 1.00 0.00 O ATOM 864 CB LEU A 55 -11.684 6.470 -17.576 1.00 0.00 C ATOM 865 CG LEU A 55 -10.822 6.536 -18.852 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.450 5.848 -18.636 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.584 5.858 -20.000 1.00 0.00 C ATOM 0 H LEU A 55 -13.827 5.472 -18.341 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.242 4.353 -17.570 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.592 7.057 -17.712 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.141 6.911 -16.740 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.630 7.580 -19.099 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.864 5.910 -19.553 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.915 6.348 -17.829 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.605 4.801 -18.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.984 5.898 -20.909 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.781 4.818 -19.741 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.529 6.376 -20.166 1.00 0.00 H new ATOM 879 N VAL A 56 -11.230 4.510 -14.999 1.00 0.00 N ATOM 880 CA VAL A 56 -11.399 4.318 -13.526 1.00 0.00 C ATOM 881 C VAL A 56 -10.039 4.541 -12.820 1.00 0.00 C ATOM 882 O VAL A 56 -9.040 4.043 -13.301 1.00 0.00 O ATOM 883 CB VAL A 56 -11.889 2.873 -13.283 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.727 1.879 -13.412 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.496 2.748 -11.886 1.00 0.00 C ATOM 0 H VAL A 56 -10.283 4.368 -15.351 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.122 5.029 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.645 2.643 -14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.093 0.867 -13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.302 1.944 -14.414 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.959 2.119 -12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.837 1.725 -11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.743 2.999 -11.139 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.341 3.431 -11.794 1.00 0.00 H new ATOM 895 N PRO A 57 -10.002 5.250 -11.697 1.00 3.33 N ATOM 896 CA PRO A 57 -8.729 5.457 -10.989 1.00 2.75 C ATOM 897 C PRO A 57 -8.046 4.100 -10.783 1.00 4.32 C ATOM 898 O PRO A 57 -8.535 3.242 -10.074 1.00 4.76 O ATOM 899 CB PRO A 57 -9.117 6.126 -9.649 1.00 2.92 C ATOM 900 CG PRO A 57 -10.634 6.462 -9.722 1.00 3.30 C ATOM 901 CD PRO A 57 -11.176 5.886 -11.052 1.00 2.53 C ATOM 0 HA PRO A 57 -8.023 6.082 -11.536 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.911 5.458 -8.812 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.530 7.030 -9.487 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.164 6.029 -8.873 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.790 7.540 -9.679 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.970 5.161 -10.874 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.596 6.671 -11.681 1.00 2.53 H new ATOM 909 N LYS A 58 -6.928 3.896 -11.422 1.00 0.00 N ATOM 910 CA LYS A 58 -6.211 2.596 -11.301 1.00 0.00 C ATOM 911 C LYS A 58 -5.818 2.327 -9.844 1.00 0.00 C ATOM 912 O LYS A 58 -5.179 1.338 -9.543 1.00 0.00 O ATOM 913 CB LYS A 58 -4.960 2.645 -12.189 1.00 0.00 C ATOM 914 CG LYS A 58 -3.899 3.617 -11.596 1.00 0.00 C ATOM 915 CD LYS A 58 -2.678 3.723 -12.528 1.00 0.00 C ATOM 916 CE LYS A 58 -1.640 4.678 -11.929 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.503 4.835 -12.879 1.00 0.00 N ATOM 0 H LYS A 58 -6.476 4.581 -12.028 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.866 1.787 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.534 1.646 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.234 2.967 -13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.341 4.603 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.584 3.264 -10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.236 2.738 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.990 4.081 -13.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.096 5.647 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.281 4.290 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.395 4.801 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.525 4.065 -13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.583 5.749 -13.369 1.00 0.00 H new ATOM 931 N ASN A 59 -6.198 3.192 -8.938 1.00 10.56 N ATOM 932 CA ASN A 59 -5.852 2.987 -7.493 1.00 9.74 C ATOM 933 C ASN A 59 -7.081 2.452 -6.748 1.00 9.95 C ATOM 934 O ASN A 59 -7.007 2.084 -5.592 1.00 8.95 O ATOM 935 CB ASN A 59 -5.415 4.330 -6.885 1.00 10.40 C ATOM 936 CG ASN A 59 -4.093 4.777 -7.516 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.359 3.969 -8.050 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.759 6.036 -7.480 1.00 14.09 N ATOM 0 H ASN A 59 -6.736 4.036 -9.135 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.038 2.267 -7.404 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -6.183 5.084 -7.055 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.299 4.231 -5.806 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.882 6.343 -7.900 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.375 6.714 -7.032 1.00 14.09 H new ATOM 945 N TYR A 60 -8.212 2.411 -7.402 1.00 10.23 N ATOM 946 CA TYR A 60 -9.454 1.907 -6.738 1.00 5.50 C ATOM 947 C TYR A 60 -9.560 0.387 -6.933 1.00 5.21 C ATOM 948 O TYR A 60 -10.567 -0.217 -6.617 1.00 7.16 O ATOM 949 CB TYR A 60 -10.675 2.589 -7.383 1.00 3.37 C ATOM 950 CG TYR A 60 -10.954 3.926 -6.722 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.900 4.777 -6.371 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.276 4.312 -6.472 1.00 2.00 C ATOM 953 CE1 TYR A 60 -10.168 6.012 -5.770 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.545 5.546 -5.871 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.492 6.399 -5.521 1.00 4.45 C ATOM 956 OH TYR A 60 -11.756 7.617 -4.930 1.00 9.52 O ATOM 0 H TYR A 60 -8.331 2.706 -8.371 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.420 2.133 -5.672 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.496 2.735 -8.448 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.549 1.943 -7.292 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.880 4.481 -6.564 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.090 3.656 -6.744 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.354 6.668 -5.498 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.566 5.841 -5.677 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.724 7.729 -4.830 1.00 9.52 H new ATOM 966 N VAL A 61 -8.539 -0.232 -7.463 1.00 5.00 N ATOM 967 CA VAL A 61 -8.589 -1.709 -7.690 1.00 4.84 C ATOM 968 C VAL A 61 -7.186 -2.300 -7.520 1.00 5.03 C ATOM 969 O VAL A 61 -6.194 -1.617 -7.678 1.00 5.61 O ATOM 970 CB VAL A 61 -9.088 -1.986 -9.118 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.314 -1.119 -9.416 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.985 -1.651 -10.132 1.00 2.97 C ATOM 0 H VAL A 61 -7.671 0.220 -7.749 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.266 -2.166 -6.969 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.353 -3.040 -9.198 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.664 -1.319 -10.429 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.107 -1.353 -8.706 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.046 -0.066 -9.326 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.346 -1.850 -11.141 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.717 -0.598 -10.043 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.108 -2.267 -9.932 1.00 2.97 H new ATOM 982 N VAL A 62 -7.096 -3.574 -7.218 1.00 0.00 N ATOM 983 CA VAL A 62 -5.752 -4.225 -7.058 1.00 0.00 C ATOM 984 C VAL A 62 -5.503 -5.117 -8.269 1.00 0.00 C ATOM 985 O VAL A 62 -6.418 -5.479 -8.963 1.00 0.00 O ATOM 986 CB VAL A 62 -5.733 -5.085 -5.792 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.956 -6.006 -5.776 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.462 -5.934 -5.769 1.00 0.00 C ATOM 0 H VAL A 62 -7.894 -4.193 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.980 -3.459 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.755 -4.435 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.940 -6.617 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.865 -5.404 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.936 -6.653 -6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.449 -6.546 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.440 -6.580 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.589 -5.282 -5.777 1.00 0.00 H new ATOM 998 N VAL A 63 -4.273 -5.471 -8.527 1.00 0.00 N ATOM 999 CA VAL A 63 -3.956 -6.345 -9.707 1.00 0.00 C ATOM 1000 C VAL A 63 -3.577 -7.748 -9.224 1.00 0.00 C ATOM 1001 O VAL A 63 -2.810 -7.912 -8.296 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.786 -5.741 -10.486 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.483 -5.948 -9.709 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.678 -6.428 -11.850 1.00 0.00 C ATOM 0 H VAL A 63 -3.465 -5.193 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.831 -6.411 -10.353 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.957 -4.673 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.653 -5.516 -10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.558 -5.461 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.309 -7.015 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.845 -6.000 -12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.509 -7.495 -11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.603 -6.278 -12.407 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.122 -8.760 -9.853 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.814 -10.168 -9.450 1.00 0.00 C ATOM 1016 C LEU A 64 -2.865 -10.794 -10.481 1.00 0.00 C ATOM 1017 O LEU A 64 -1.747 -11.153 -10.167 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.128 -10.971 -9.393 1.00 0.00 C ATOM 1019 CG LEU A 64 -4.901 -12.336 -8.711 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -4.691 -12.165 -7.193 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.110 -13.247 -8.967 1.00 0.00 C ATOM 0 H LEU A 64 -4.772 -8.671 -10.634 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.337 -10.181 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.882 -10.406 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.512 -11.122 -10.402 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.004 -12.788 -9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.533 -13.142 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.819 -11.536 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.572 -11.697 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.948 -14.211 -8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.008 -12.783 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.234 -13.395 -10.040 1.00 0.00 H new ATOM 1033 N SER A 65 -3.297 -10.930 -11.708 1.00 0.00 N ATOM 1034 CA SER A 65 -2.406 -11.535 -12.744 1.00 0.00 C ATOM 1035 C SER A 65 -1.267 -10.567 -13.065 1.00 0.00 C ATOM 1036 O SER A 65 -1.406 -9.367 -12.943 1.00 0.00 O ATOM 1037 CB SER A 65 -3.210 -11.831 -14.014 1.00 0.00 C ATOM 1038 OG SER A 65 -3.976 -10.685 -14.358 1.00 0.00 O ATOM 0 H SER A 65 -4.221 -10.651 -12.036 1.00 0.00 H new ATOM 0 HA SER A 65 -1.991 -12.468 -12.362 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.538 -12.093 -14.831 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.866 -12.687 -13.853 1.00 0.00 H new ATOM 0 HG SER A 65 -4.563 -10.898 -15.113 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.133 -11.081 -13.468 1.00 0.00 N ATOM 1045 CA ASP A 66 1.023 -10.192 -13.794 1.00 0.00 C ATOM 1046 C ASP A 66 1.832 -10.811 -14.936 1.00 0.00 C ATOM 1047 O ASP A 66 1.847 -12.012 -15.118 1.00 0.00 O ATOM 1048 CB ASP A 66 1.913 -10.048 -12.556 1.00 0.00 C ATOM 1049 CG ASP A 66 2.363 -11.431 -12.084 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.147 -12.385 -12.813 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.916 -11.515 -11.000 1.00 0.00 O ATOM 0 H ASP A 66 0.042 -12.079 -13.585 1.00 0.00 H new ATOM 0 HA ASP A 66 0.659 -9.211 -14.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.781 -9.432 -12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.367 -9.541 -11.760 1.00 0.00 H new ATOM 1056 N GLY A 67 2.506 -10.002 -15.708 1.00 0.00 N ATOM 1057 CA GLY A 67 3.315 -10.545 -16.840 1.00 0.00 C ATOM 1058 C GLY A 67 4.683 -11.010 -16.317 1.00 0.00 C ATOM 1059 O GLY A 67 4.962 -12.194 -16.319 1.00 0.00 O ATOM 0 H GLY A 67 2.532 -8.988 -15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.791 -11.378 -17.309 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.447 -9.781 -17.606 1.00 0.00 H new ATOM 1063 N PRO A 68 5.503 -10.075 -15.881 1.00 0.00 N ATOM 1064 CA PRO A 68 6.839 -10.411 -15.355 1.00 0.00 C ATOM 1065 C PRO A 68 6.699 -11.355 -14.151 1.00 0.00 C ATOM 1066 O PRO A 68 6.554 -10.921 -13.024 1.00 0.00 O ATOM 1067 CB PRO A 68 7.459 -9.053 -14.943 1.00 0.00 C ATOM 1068 CG PRO A 68 6.395 -7.950 -15.222 1.00 0.00 C ATOM 1069 CD PRO A 68 5.172 -8.634 -15.875 1.00 0.00 C ATOM 0 HA PRO A 68 7.466 -10.926 -16.083 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.735 -9.062 -13.889 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.370 -8.859 -15.510 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.106 -7.453 -14.296 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.802 -7.183 -15.881 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.261 -8.440 -15.309 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.004 -8.263 -16.886 1.00 0.00 H new ATOM 1077 N ALA A 69 6.757 -12.645 -14.386 1.00 0.00 N ATOM 1078 CA ALA A 69 6.650 -13.634 -13.279 1.00 0.00 C ATOM 1079 C ALA A 69 7.976 -14.373 -13.178 1.00 0.00 C ATOM 1080 O ALA A 69 8.145 -15.460 -13.694 1.00 0.00 O ATOM 1081 CB ALA A 69 5.533 -14.634 -13.595 1.00 0.00 C ATOM 0 H ALA A 69 6.876 -13.055 -15.313 1.00 0.00 H new ATOM 0 HA ALA A 69 6.422 -13.130 -12.340 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.454 -15.359 -12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.587 -14.102 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.762 -15.153 -14.525 1.00 0.00 H new ATOM 1087 N LEU A 70 8.911 -13.780 -12.510 1.00 0.00 N ATOM 1088 CA LEU A 70 10.250 -14.418 -12.347 1.00 0.00 C ATOM 1089 C LEU A 70 10.210 -15.378 -11.157 1.00 0.00 C ATOM 1090 O LEU A 70 9.861 -15.003 -10.056 1.00 0.00 O ATOM 1091 CB LEU A 70 11.304 -13.332 -12.093 1.00 0.00 C ATOM 1092 CG LEU A 70 11.548 -12.514 -13.379 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.086 -11.126 -13.014 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.574 -13.225 -14.274 1.00 0.00 C ATOM 0 H LEU A 70 8.812 -12.869 -12.061 1.00 0.00 H new ATOM 0 HA LEU A 70 10.507 -14.969 -13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.971 -12.672 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.236 -13.790 -11.762 1.00 0.00 H new ATOM 0 HG LEU A 70 10.604 -12.418 -13.915 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.257 -10.551 -13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.360 -10.607 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.024 -11.231 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.737 -12.638 -15.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.516 -13.331 -13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.198 -14.212 -14.545 1.00 0.00 H new ATOM 1106 N HIS A 71 10.567 -16.616 -11.368 1.00 0.00 N ATOM 1107 CA HIS A 71 10.548 -17.598 -10.245 1.00 0.00 C ATOM 1108 C HIS A 71 9.194 -17.531 -9.533 1.00 0.00 C ATOM 1109 CB HIS A 71 11.663 -17.258 -9.254 1.00 0.00 C ATOM 1110 CG HIS A 71 11.829 -18.392 -8.278 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.914 -19.428 -8.183 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.801 -18.665 -7.348 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.350 -20.268 -7.228 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.497 -19.849 -6.687 1.00 0.00 N ATOM 0 H HIS A 71 10.870 -16.990 -12.267 1.00 0.00 H new ATOM 0 HA HIS A 71 10.703 -18.603 -10.637 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.597 -17.083 -9.787 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.423 -16.338 -8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.670 -18.053 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.836 -21.171 -6.934 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.035 -20.301 -5.947 1.00 0.00 H new ATOM 1123 N GLY B 72 -13.590 -14.568 8.069 1.00 0.00 N ATOM 1124 CA GLY B 72 -12.691 -14.703 6.886 1.00 0.00 C ATOM 1125 C GLY B 72 -12.282 -13.312 6.395 1.00 0.00 C ATOM 1126 O GLY B 72 -12.450 -12.977 5.241 1.00 0.00 O ATOM 0 HA2 GLY B 72 -11.806 -15.281 7.152 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.199 -15.247 6.090 1.00 0.00 H new ATOM 1131 N SER B 73 -11.749 -12.497 7.266 1.00 0.00 N ATOM 1132 CA SER B 73 -11.331 -11.131 6.846 1.00 0.00 C ATOM 1133 C SER B 73 -9.991 -11.210 6.113 1.00 0.00 C ATOM 1134 O SER B 73 -9.224 -12.132 6.298 1.00 0.00 O ATOM 1135 CB SER B 73 -11.185 -10.242 8.083 1.00 0.00 C ATOM 1136 OG SER B 73 -12.304 -10.435 8.936 1.00 0.00 O ATOM 0 H SER B 73 -11.586 -12.719 8.248 1.00 0.00 H new ATOM 0 HA SER B 73 -12.083 -10.708 6.180 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.264 -10.485 8.613 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.116 -9.195 7.786 1.00 0.00 H new ATOM 0 HG SER B 73 -12.212 -9.868 9.730 1.00 0.00 H new ATOM 1142 N MET B 74 -9.702 -10.244 5.284 1.00 0.00 N ATOM 1143 CA MET B 74 -8.411 -10.264 4.539 1.00 0.00 C ATOM 1144 C MET B 74 -7.261 -10.512 5.517 1.00 0.00 C ATOM 1145 O MET B 74 -7.431 -10.441 6.718 1.00 0.00 O ATOM 1146 CB MET B 74 -8.204 -8.920 3.838 1.00 0.00 C ATOM 1147 CG MET B 74 -9.499 -8.506 3.135 1.00 0.00 C ATOM 1148 SD MET B 74 -9.169 -7.106 2.038 1.00 0.00 S ATOM 1149 CE MET B 74 -10.803 -6.338 2.150 1.00 0.00 C ATOM 0 H MET B 74 -10.303 -9.443 5.091 1.00 0.00 H new ATOM 0 HA MET B 74 -8.434 -11.061 3.796 1.00 0.00 H new ATOM 0 HB2 MET B 74 -7.913 -8.160 4.564 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.393 -8.997 3.114 1.00 0.00 H new ATOM 0 HG2 MET B 74 -9.899 -9.343 2.563 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.255 -8.234 3.872 1.00 0.00 H new ATOM 0 HE1 MET B 74 -10.825 -5.437 1.536 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.559 -7.038 1.794 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.011 -6.075 3.187 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.092 -10.801 5.015 1.00 0.00 N ATOM 1160 CA GLY B 75 -4.935 -11.054 5.918 1.00 0.00 C ATOM 1161 C GLY B 75 -3.649 -11.129 5.093 1.00 0.00 C ATOM 1162 O GLY B 75 -2.843 -12.021 5.264 1.00 0.00 O ATOM 0 H GLY B 75 -5.888 -10.873 4.018 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -4.858 -10.258 6.659 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.084 -11.985 6.464 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.450 -10.198 4.200 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.214 -10.217 3.364 1.00 0.00 C ATOM 1168 C VAL B 76 -1.903 -8.794 2.880 1.00 0.00 C ATOM 1169 O VAL B 76 -2.766 -8.127 2.344 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.436 -11.118 2.139 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -1.597 -10.612 0.964 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.016 -12.554 2.446 1.00 0.00 C ATOM 0 H VAL B 76 -4.089 -9.425 4.013 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.384 -10.598 3.959 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.496 -11.093 1.887 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.758 -11.254 0.098 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.892 -9.592 0.719 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.542 -10.629 1.237 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.181 -13.177 1.567 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.959 -12.575 2.713 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -2.608 -12.936 3.278 1.00 0.00 H new ATOM 1182 N PRO B 77 -0.673 -8.380 3.054 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.230 -7.056 2.609 1.00 0.00 C ATOM 1184 C PRO B 77 -0.088 -7.070 1.104 1.00 0.00 C ATOM 1185 O PRO B 77 -0.036 -8.111 0.484 1.00 0.00 O ATOM 1186 CB PRO B 77 1.136 -6.849 3.269 1.00 0.00 C ATOM 1187 CG PRO B 77 1.529 -8.190 3.934 1.00 0.00 C ATOM 1188 CD PRO B 77 0.374 -9.174 3.716 1.00 0.00 C ATOM 0 HA PRO B 77 -0.928 -6.262 2.875 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.880 -6.553 2.529 1.00 0.00 H new ATOM 0 HB3 PRO B 77 1.089 -6.051 4.010 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.450 -8.578 3.498 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.716 -8.049 4.999 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.683 -10.016 3.097 1.00 0.00 H new ATOM 0 HD3 PRO B 77 0.021 -9.586 4.661 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.027 -5.923 0.515 1.00 0.00 N ATOM 1197 CA ILE B 78 0.111 -5.866 -0.954 1.00 0.00 C ATOM 1198 C ILE B 78 1.162 -4.834 -1.322 1.00 0.00 C ATOM 1199 O ILE B 78 1.065 -3.668 -0.992 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.239 -5.535 -1.571 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.220 -6.620 -1.132 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.111 -5.534 -3.091 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.662 -6.191 -1.370 1.00 0.00 C ATOM 0 H ILE B 78 -0.067 -5.019 0.987 1.00 0.00 H new ATOM 0 HA ILE B 78 0.436 -6.831 -1.344 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.587 -4.553 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.017 -7.540 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.073 -6.840 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.077 -5.297 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.378 -4.786 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.786 -6.518 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.336 -6.985 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -3.870 -5.285 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.813 -5.996 -2.432 1.00 0.00 H new ATOM 1215 N CYS B 79 2.187 -5.279 -1.982 1.00 0.00 N ATOM 1216 CA CYS B 79 3.290 -4.370 -2.361 1.00 0.00 C ATOM 1217 C CYS B 79 2.753 -3.231 -3.214 1.00 0.00 C ATOM 1218 O CYS B 79 2.240 -3.426 -4.297 1.00 0.00 O ATOM 1219 CB CYS B 79 4.351 -5.158 -3.129 1.00 0.00 C ATOM 1220 SG CYS B 79 5.558 -4.022 -3.850 1.00 0.00 S ATOM 0 H CYS B 79 2.307 -6.248 -2.278 1.00 0.00 H new ATOM 0 HA CYS B 79 3.740 -3.946 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.852 -5.858 -2.460 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.880 -5.749 -3.915 1.00 0.00 H new ATOM 0 HG CYS B 79 5.537 -2.896 -3.200 1.00 0.00 H new ATOM 1225 N GLY B 80 2.870 -2.036 -2.718 1.00 0.00 N ATOM 1226 CA GLY B 80 2.369 -0.859 -3.477 1.00 0.00 C ATOM 1227 C GLY B 80 3.179 -0.704 -4.761 1.00 0.00 C ATOM 1228 O GLY B 80 2.950 0.194 -5.547 1.00 0.00 O ATOM 0 H GLY B 80 3.293 -1.821 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.313 -0.987 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.453 0.042 -2.870 1.00 0.00 H new ATOM 1232 N ALA B 81 4.129 -1.572 -4.979 1.00 0.00 N ATOM 1233 CA ALA B 81 4.959 -1.472 -6.210 1.00 0.00 C ATOM 1234 C ALA B 81 4.265 -2.217 -7.349 1.00 0.00 C ATOM 1235 O ALA B 81 4.121 -1.706 -8.441 1.00 0.00 O ATOM 1236 CB ALA B 81 6.334 -2.091 -5.948 1.00 0.00 C ATOM 0 H ALA B 81 4.365 -2.345 -4.357 1.00 0.00 H new ATOM 0 HA ALA B 81 5.083 -0.425 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.943 -2.019 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.824 -1.557 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.215 -3.139 -5.674 1.00 0.00 H new ATOM 1242 N CYS B 82 3.838 -3.420 -7.097 1.00 0.00 N ATOM 1243 CA CYS B 82 3.150 -4.216 -8.152 1.00 0.00 C ATOM 1244 C CYS B 82 1.708 -4.479 -7.719 1.00 0.00 C ATOM 1245 O CYS B 82 0.975 -5.193 -8.374 1.00 0.00 O ATOM 1246 CB CYS B 82 3.879 -5.548 -8.335 1.00 0.00 C ATOM 1247 SG CYS B 82 4.411 -6.167 -6.719 1.00 0.00 S ATOM 0 H CYS B 82 3.936 -3.892 -6.198 1.00 0.00 H new ATOM 0 HA CYS B 82 3.155 -3.667 -9.093 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.222 -6.272 -8.816 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.741 -5.417 -8.989 1.00 0.00 H new ATOM 0 HG CYS B 82 5.704 -6.070 -6.621 1.00 0.00 H new ATOM 1252 N ARG B 83 1.297 -3.917 -6.612 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.090 -4.147 -6.138 1.00 0.00 C ATOM 1254 C ARG B 83 -0.333 -5.650 -6.061 1.00 0.00 C ATOM 1255 O ARG B 83 -1.382 -6.143 -6.424 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.086 -3.509 -7.112 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.033 -1.980 -6.985 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.006 -1.329 -7.978 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.961 0.164 -7.851 1.00 0.00 N ATOM 1260 CZ ARG B 83 -2.744 0.803 -7.024 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -3.700 0.174 -6.394 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -2.602 2.090 -6.860 1.00 0.00 N ATOM 0 H ARG B 83 1.865 -3.310 -6.020 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.226 -3.697 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.850 -3.806 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.094 -3.866 -6.901 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.289 -1.684 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.019 -1.627 -7.175 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -1.747 -1.622 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.019 -1.686 -7.792 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.303 0.693 -8.424 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -3.840 -0.825 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -4.306 0.682 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.881 2.594 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -3.212 2.592 -6.215 1.00 0.00 H new ATOM 1276 N ARG B 84 0.639 -6.382 -5.583 1.00 0.00 N ATOM 1277 CA ARG B 84 0.489 -7.861 -5.468 1.00 0.00 C ATOM 1278 C ARG B 84 0.540 -8.242 -3.984 1.00 0.00 C ATOM 1279 O ARG B 84 1.283 -7.644 -3.232 1.00 0.00 O ATOM 1280 CB ARG B 84 1.641 -8.551 -6.210 1.00 0.00 C ATOM 1281 CG ARG B 84 1.327 -8.616 -7.705 1.00 0.00 C ATOM 1282 CD ARG B 84 0.739 -9.988 -8.043 1.00 0.00 C ATOM 1283 NE ARG B 84 1.698 -11.051 -7.633 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.518 -12.280 -8.035 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.502 -12.575 -8.797 1.00 0.00 N ATOM 1286 NH2 ARG B 84 2.356 -13.213 -7.674 1.00 0.00 N ATOM 0 H ARG B 84 1.536 -6.015 -5.265 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.459 -8.176 -5.904 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.570 -8.004 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.789 -9.556 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.622 -7.830 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG B 84 2.233 -8.444 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG B 84 -0.213 -10.124 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG B 84 0.538 -10.057 -9.112 1.00 0.00 H new ATOM 0 HE ARG B 84 2.494 -10.819 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG B 84 -0.153 -11.845 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG B 84 0.362 -13.535 -9.111 1.00 0.00 H new ATOM 0 HH21 ARG B 84 3.151 -12.982 -7.078 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.216 -14.173 -7.988 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.243 -9.221 -3.596 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.278 -9.666 -2.193 1.00 0.00 C ATOM 1302 C PRO B 85 1.119 -10.070 -1.722 1.00 0.00 C ATOM 1303 O PRO B 85 1.685 -11.040 -2.183 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.247 -10.861 -2.185 1.00 0.00 C ATOM 1305 CG PRO B 85 -1.821 -11.016 -3.610 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.142 -9.962 -4.502 1.00 0.00 C ATOM 0 HA PRO B 85 -0.606 -8.880 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -0.729 -11.771 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.050 -10.697 -1.466 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.633 -12.019 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -2.902 -10.875 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.586 -10.431 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -1.876 -9.299 -4.959 1.00 0.00 H new ATOM 1314 N ILE B 86 1.678 -9.328 -0.799 1.00 0.00 N ATOM 1315 CA ILE B 86 3.039 -9.678 -0.297 1.00 0.00 C ATOM 1316 C ILE B 86 2.935 -10.952 0.546 1.00 0.00 C ATOM 1317 O ILE B 86 1.871 -11.301 1.018 1.00 0.00 O ATOM 1318 CB ILE B 86 3.603 -8.521 0.538 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.780 -7.290 -0.358 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.963 -8.920 1.116 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.617 -6.016 0.476 1.00 0.00 C ATOM 0 H ILE B 86 1.254 -8.503 -0.375 1.00 0.00 H new ATOM 0 HA ILE B 86 3.715 -9.851 -1.134 1.00 0.00 H new ATOM 0 HB ILE B 86 2.914 -8.292 1.351 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.765 -7.307 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE B 86 3.045 -7.306 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.362 -8.097 1.709 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.845 -9.799 1.749 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.651 -9.148 0.302 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.744 -5.143 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.623 -5.998 0.922 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.369 -5.999 1.265 1.00 0.00 H new ATOM 1333 N GLU B 87 4.014 -11.669 0.724 1.00 0.00 N ATOM 1334 CA GLU B 87 3.928 -12.931 1.521 1.00 0.00 C ATOM 1335 C GLU B 87 5.311 -13.352 2.016 1.00 0.00 C ATOM 1336 O GLU B 87 5.807 -14.416 1.695 1.00 0.00 O ATOM 1337 CB GLU B 87 3.336 -14.041 0.647 1.00 0.00 C ATOM 1338 CG GLU B 87 3.903 -13.935 -0.770 1.00 0.00 C ATOM 1339 CD GLU B 87 3.648 -15.241 -1.523 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.547 -15.408 -2.021 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.557 -16.051 -1.587 1.00 0.00 O ATOM 0 H GLU B 87 4.939 -11.441 0.359 1.00 0.00 H new ATOM 0 HA GLU B 87 3.288 -12.758 2.387 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.571 -15.017 1.072 1.00 0.00 H new ATOM 0 HB3 GLU B 87 2.249 -13.958 0.622 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.438 -13.102 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.973 -13.729 -0.730 1.00 0.00 H new ATOM 1348 N GLY B 88 5.932 -12.530 2.808 1.00 0.00 N ATOM 1349 CA GLY B 88 7.277 -12.861 3.352 1.00 0.00 C ATOM 1350 C GLY B 88 7.674 -11.751 4.311 1.00 0.00 C ATOM 1351 O GLY B 88 7.190 -11.668 5.421 1.00 0.00 O ATOM 0 H GLY B 88 5.560 -11.628 3.107 1.00 0.00 H new ATOM 0 HA2 GLY B 88 7.255 -13.822 3.867 1.00 0.00 H new ATOM 0 HA3 GLY B 88 8.005 -12.948 2.545 1.00 0.00 H new ATOM 1355 N ARG B 89 8.521 -10.874 3.868 1.00 0.00 N ATOM 1356 CA ARG B 89 8.926 -9.724 4.717 1.00 0.00 C ATOM 1357 C ARG B 89 8.365 -8.470 4.063 1.00 0.00 C ATOM 1358 O ARG B 89 8.636 -8.181 2.914 1.00 0.00 O ATOM 1359 CB ARG B 89 10.444 -9.645 4.809 1.00 0.00 C ATOM 1360 CG ARG B 89 10.956 -10.756 5.730 1.00 0.00 C ATOM 1361 CD ARG B 89 12.419 -10.483 6.098 1.00 0.00 C ATOM 1362 NE ARG B 89 13.218 -11.743 5.993 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.765 -12.870 6.477 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.639 -12.902 7.137 1.00 0.00 N ATOM 1365 NH2 ARG B 89 13.452 -13.967 6.319 1.00 0.00 N ATOM 0 H ARG B 89 8.955 -10.903 2.946 1.00 0.00 H new ATOM 0 HA ARG B 89 8.543 -9.834 5.731 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.885 -9.747 3.818 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.746 -8.671 5.193 1.00 0.00 H new ATOM 0 HG2 ARG B 89 10.346 -10.805 6.632 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.869 -11.723 5.234 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.834 -9.724 5.435 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.480 -10.088 7.112 1.00 0.00 H new ATOM 0 HE ARG B 89 14.130 -11.723 5.537 1.00 0.00 H new ATOM 0 HH11 ARG B 89 11.106 -12.044 7.278 1.00 0.00 H new ATOM 0 HH12 ARG B 89 11.292 -13.785 7.511 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.341 -13.945 5.819 1.00 0.00 H new ATOM 0 HH22 ARG B 89 13.101 -14.847 6.696 1.00 0.00 H new ATOM 1379 N VAL B 90 7.548 -7.751 4.767 1.00 0.00 N ATOM 1380 CA VAL B 90 6.912 -6.540 4.171 1.00 0.00 C ATOM 1381 C VAL B 90 7.648 -5.272 4.588 1.00 0.00 C ATOM 1382 O VAL B 90 8.328 -5.229 5.596 1.00 0.00 O ATOM 1383 CB VAL B 90 5.464 -6.451 4.659 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.752 -5.273 3.982 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.726 -7.749 4.317 1.00 0.00 C ATOM 0 H VAL B 90 7.288 -7.945 5.734 1.00 0.00 H new ATOM 0 HA VAL B 90 6.952 -6.626 3.085 1.00 0.00 H new ATOM 0 HB VAL B 90 5.464 -6.300 5.738 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.722 -5.218 4.336 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.270 -4.346 4.227 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.757 -5.417 2.902 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.695 -7.684 4.665 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.736 -7.899 3.237 1.00 0.00 H new ATOM 0 HG23 VAL B 90 5.221 -8.589 4.805 1.00 0.00 H new ATOM 1395 N VAL B 91 7.480 -4.222 3.825 1.00 0.00 N ATOM 1396 CA VAL B 91 8.117 -2.925 4.164 1.00 0.00 C ATOM 1397 C VAL B 91 7.005 -1.895 4.278 1.00 0.00 C ATOM 1398 O VAL B 91 6.312 -1.614 3.325 1.00 0.00 O ATOM 1399 CB VAL B 91 9.103 -2.511 3.068 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.332 -0.996 3.127 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.432 -3.230 3.291 1.00 0.00 C ATOM 0 H VAL B 91 6.921 -4.214 2.972 1.00 0.00 H new ATOM 0 HA VAL B 91 8.673 -3.005 5.098 1.00 0.00 H new ATOM 0 HB VAL B 91 8.696 -2.779 2.093 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.034 -0.703 2.346 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.385 -0.479 2.976 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.740 -0.727 4.101 1.00 0.00 H new ATOM 0 HG21 VAL B 91 11.138 -2.939 2.513 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.834 -2.957 4.267 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.274 -4.308 3.252 1.00 0.00 H new ATOM 1411 N ASN B 92 6.806 -1.345 5.437 1.00 0.00 N ATOM 1412 CA ASN B 92 5.714 -0.352 5.596 1.00 0.00 C ATOM 1413 C ASN B 92 6.249 1.045 5.303 1.00 0.00 C ATOM 1414 O ASN B 92 6.971 1.627 6.089 1.00 0.00 O ATOM 1415 CB ASN B 92 5.175 -0.413 7.021 1.00 0.00 C ATOM 1416 CG ASN B 92 4.455 -1.742 7.240 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.593 -1.848 8.092 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.772 -2.772 6.502 1.00 0.00 N ATOM 0 H ASN B 92 7.349 -1.538 6.279 1.00 0.00 H new ATOM 0 HA ASN B 92 4.908 -0.580 4.898 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.992 -0.309 7.734 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.490 0.417 7.197 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.297 -3.664 6.640 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.495 -2.684 5.787 1.00 0.00 H new ATOM 1425 N ALA B 93 5.898 1.586 4.170 1.00 0.00 N ATOM 1426 CA ALA B 93 6.379 2.948 3.809 1.00 0.00 C ATOM 1427 C ALA B 93 5.274 3.669 3.042 1.00 0.00 C ATOM 1428 O ALA B 93 4.376 3.050 2.505 1.00 0.00 O ATOM 1429 CB ALA B 93 7.618 2.828 2.920 1.00 0.00 C ATOM 0 H ALA B 93 5.297 1.142 3.476 1.00 0.00 H new ATOM 0 HA ALA B 93 6.633 3.506 4.710 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.973 3.824 2.654 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.402 2.295 3.458 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.363 2.279 2.013 1.00 0.00 H new ATOM 1435 N MET B 94 5.320 4.971 2.988 1.00 0.00 N ATOM 1436 CA MET B 94 4.258 5.713 2.260 1.00 0.00 C ATOM 1437 C MET B 94 2.920 5.354 2.882 1.00 0.00 C ATOM 1438 O MET B 94 1.869 5.542 2.301 1.00 0.00 O ATOM 1439 CB MET B 94 4.254 5.299 0.787 1.00 0.00 C ATOM 1440 CG MET B 94 5.685 5.243 0.244 1.00 0.00 C ATOM 1441 SD MET B 94 6.275 6.925 -0.062 1.00 0.00 S ATOM 1442 CE MET B 94 7.994 6.676 0.443 1.00 0.00 C ATOM 0 H MET B 94 6.044 5.549 3.415 1.00 0.00 H new ATOM 0 HA MET B 94 4.438 6.786 2.327 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.779 4.324 0.678 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.665 6.008 0.205 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.338 4.741 0.958 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.714 4.662 -0.678 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.444 7.638 0.690 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.026 6.026 1.317 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.550 6.214 -0.373 1.00 0.00 H new ATOM 1452 N GLY B 95 2.969 4.813 4.056 1.00 0.00 N ATOM 1453 CA GLY B 95 1.714 4.402 4.739 1.00 0.00 C ATOM 1454 C GLY B 95 1.145 3.195 3.999 1.00 0.00 C ATOM 1455 O GLY B 95 -0.041 2.937 4.014 1.00 0.00 O ATOM 0 H GLY B 95 3.826 4.635 4.579 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.912 4.151 5.781 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.995 5.221 4.740 1.00 0.00 H new ATOM 1459 N LYS B 96 2.001 2.468 3.337 1.00 0.00 N ATOM 1460 CA LYS B 96 1.559 1.276 2.560 1.00 0.00 C ATOM 1461 C LYS B 96 2.431 0.072 2.918 1.00 0.00 C ATOM 1462 O LYS B 96 3.007 -0.004 3.982 1.00 0.00 O ATOM 1463 CB LYS B 96 1.712 1.579 1.064 1.00 0.00 C ATOM 1464 CG LYS B 96 0.788 2.744 0.664 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.091 2.326 -0.521 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.831 3.548 -1.063 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.833 4.009 -0.061 1.00 0.00 N ATOM 0 H LYS B 96 3.004 2.652 3.301 1.00 0.00 H new ATOM 0 HA LYS B 96 0.519 1.050 2.796 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.748 1.833 0.840 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.467 0.693 0.478 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.162 3.031 1.509 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.383 3.617 0.397 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.523 1.883 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.805 1.565 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.123 4.348 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.327 3.299 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.427 4.752 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.431 3.208 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.341 4.389 0.772 1.00 0.00 H new ATOM 1481 N GLN B 97 2.527 -0.858 2.015 1.00 0.00 N ATOM 1482 CA GLN B 97 3.350 -2.075 2.233 1.00 0.00 C ATOM 1483 C GLN B 97 4.139 -2.306 0.945 1.00 0.00 C ATOM 1484 O GLN B 97 3.647 -2.034 -0.132 1.00 0.00 O ATOM 1485 CB GLN B 97 2.411 -3.252 2.505 1.00 0.00 C ATOM 1486 CG GLN B 97 1.917 -3.177 3.963 1.00 0.00 C ATOM 1487 CD GLN B 97 0.450 -3.615 4.064 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.131 -3.579 5.130 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.175 -4.035 3.001 1.00 0.00 N ATOM 0 H GLN B 97 2.057 -0.824 1.111 1.00 0.00 H new ATOM 0 HA GLN B 97 4.029 -1.970 3.079 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.564 -3.224 1.819 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.930 -4.195 2.332 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.536 -3.814 4.595 1.00 0.00 H new ATOM 0 HG3 GLN B 97 2.024 -2.158 4.336 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.309 -4.067 2.104 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.149 -4.332 3.066 1.00 0.00 H new ATOM 1498 N TRP B 98 5.360 -2.759 1.020 1.00 0.00 N ATOM 1499 CA TRP B 98 6.143 -2.939 -0.236 1.00 0.00 C ATOM 1500 C TRP B 98 6.994 -4.206 -0.162 1.00 0.00 C ATOM 1501 O TRP B 98 7.592 -4.497 0.852 1.00 0.00 O ATOM 1502 CB TRP B 98 7.057 -1.723 -0.406 1.00 0.00 C ATOM 1503 CG TRP B 98 6.234 -0.477 -0.369 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.831 0.165 0.751 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.709 0.286 -1.488 1.00 0.00 C ATOM 1506 NE1 TRP B 98 5.080 1.273 0.386 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.979 1.389 -0.986 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.793 0.123 -2.875 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.353 2.298 -1.838 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.171 1.034 -3.737 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.450 2.120 -3.221 1.00 0.00 C ATOM 0 H TRP B 98 5.844 -3.009 1.882 1.00 0.00 H new ATOM 0 HA TRP B 98 5.461 -3.032 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.805 -1.702 0.387 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.596 -1.788 -1.351 1.00 0.00 H new ATOM 0 HD1 TRP B 98 6.057 -0.136 1.763 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.655 1.921 1.049 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.342 -0.712 -3.284 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.798 3.132 -1.433 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.247 0.899 -4.806 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.970 2.818 -3.891 1.00 0.00 H new ATOM 1522 N HIS B 99 7.090 -4.947 -1.240 1.00 0.00 N ATOM 1523 CA HIS B 99 7.948 -6.164 -1.197 1.00 0.00 C ATOM 1524 C HIS B 99 9.344 -5.704 -0.789 1.00 0.00 C ATOM 1525 O HIS B 99 9.872 -4.756 -1.333 1.00 0.00 O ATOM 1526 CB HIS B 99 8.038 -6.824 -2.578 1.00 0.00 C ATOM 1527 CG HIS B 99 6.833 -7.686 -2.829 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.935 -7.412 -3.845 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.374 -8.827 -2.222 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.987 -8.368 -3.824 1.00 0.00 C ATOM 1531 NE2 HIS B 99 5.210 -9.257 -2.853 1.00 0.00 N ATOM 0 H HIS B 99 6.621 -4.765 -2.127 1.00 0.00 H new ATOM 0 HA HIS B 99 7.529 -6.889 -0.499 1.00 0.00 H new ATOM 0 HB2 HIS B 99 8.111 -6.058 -3.350 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.944 -7.427 -2.641 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.983 -6.626 -4.494 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.844 -9.317 -1.382 1.00 0.00 H new ATOM 0 HE1 HIS B 99 4.151 -8.410 -4.507 1.00 0.00 H new ATOM 1539 N VAL B 100 9.950 -6.354 0.152 1.00 0.00 N ATOM 1540 CA VAL B 100 11.310 -5.930 0.566 1.00 0.00 C ATOM 1541 C VAL B 100 12.190 -5.866 -0.676 1.00 0.00 C ATOM 1542 O VAL B 100 13.273 -5.313 -0.665 1.00 0.00 O ATOM 1543 CB VAL B 100 11.866 -6.954 1.549 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.390 -6.843 1.603 1.00 0.00 C ATOM 1545 CG2 VAL B 100 11.277 -6.683 2.932 1.00 0.00 C ATOM 0 H VAL B 100 9.568 -7.157 0.652 1.00 0.00 H new ATOM 0 HA VAL B 100 11.283 -4.952 1.046 1.00 0.00 H new ATOM 0 HB VAL B 100 11.597 -7.960 1.226 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.784 -7.577 2.307 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.804 -7.032 0.612 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.671 -5.841 1.928 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.668 -7.410 3.643 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.550 -5.678 3.253 1.00 0.00 H new ATOM 0 HG23 VAL B 100 10.191 -6.767 2.888 1.00 0.00 H new ATOM 1555 N GLU B 101 11.732 -6.451 -1.744 1.00 0.00 N ATOM 1556 CA GLU B 101 12.527 -6.460 -2.998 1.00 0.00 C ATOM 1557 C GLU B 101 12.091 -5.316 -3.923 1.00 0.00 C ATOM 1558 O GLU B 101 12.861 -4.848 -4.738 1.00 0.00 O ATOM 1559 CB GLU B 101 12.313 -7.802 -3.707 1.00 0.00 C ATOM 1560 CG GLU B 101 12.928 -7.763 -5.108 1.00 0.00 C ATOM 1561 CD GLU B 101 14.387 -7.311 -5.020 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.173 -8.031 -4.427 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.690 -6.254 -5.544 1.00 0.00 O ATOM 0 H GLU B 101 10.832 -6.928 -1.801 1.00 0.00 H new ATOM 0 HA GLU B 101 13.581 -6.324 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.766 -8.605 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.247 -8.020 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.870 -8.749 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.364 -7.081 -5.744 1.00 0.00 H new ATOM 1570 N HIS B 102 10.860 -4.873 -3.825 1.00 0.00 N ATOM 1571 CA HIS B 102 10.394 -3.773 -4.728 1.00 0.00 C ATOM 1572 C HIS B 102 10.466 -2.421 -4.019 1.00 0.00 C ATOM 1573 O HIS B 102 10.275 -1.392 -4.632 1.00 0.00 O ATOM 1574 CB HIS B 102 8.956 -4.042 -5.180 1.00 0.00 C ATOM 1575 CG HIS B 102 8.918 -5.313 -5.990 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.798 -6.138 -6.052 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.864 -5.910 -6.786 1.00 0.00 C ATOM 1578 CE1 HIS B 102 8.104 -7.170 -6.862 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.349 -7.081 -7.334 1.00 0.00 N ATOM 0 H HIS B 102 10.164 -5.221 -3.166 1.00 0.00 H new ATOM 0 HA HIS B 102 11.049 -3.744 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.301 -4.130 -4.313 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.587 -3.207 -5.775 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.859 -5.528 -6.961 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.423 -7.973 -7.101 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.822 -7.731 -7.962 1.00 0.00 H new ATOM 1587 N PHE B 103 10.771 -2.394 -2.752 1.00 0.00 N ATOM 1588 CA PHE B 103 10.878 -1.079 -2.075 1.00 0.00 C ATOM 1589 C PHE B 103 12.244 -0.512 -2.423 1.00 0.00 C ATOM 1590 O PHE B 103 13.261 -0.992 -1.964 1.00 0.00 O ATOM 1591 CB PHE B 103 10.740 -1.211 -0.559 1.00 0.00 C ATOM 1592 CG PHE B 103 10.514 0.165 0.025 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.387 0.910 -0.354 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.435 0.708 0.929 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.185 2.191 0.169 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.230 1.991 1.451 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.106 2.732 1.071 1.00 0.00 C ATOM 0 H PHE B 103 10.947 -3.211 -2.167 1.00 0.00 H new ATOM 0 HA PHE B 103 10.074 -0.424 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.907 -1.869 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.638 -1.659 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.675 0.493 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.303 0.137 1.224 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.317 2.763 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.941 2.409 2.148 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.950 3.722 1.474 1.00 0.00 H new ATOM 1607 N VAL B 104 12.279 0.466 -3.275 1.00 0.00 N ATOM 1608 CA VAL B 104 13.581 1.030 -3.709 1.00 0.00 C ATOM 1609 C VAL B 104 13.561 2.549 -3.673 1.00 0.00 C ATOM 1610 O VAL B 104 12.549 3.178 -3.433 1.00 0.00 O ATOM 1611 CB VAL B 104 13.835 0.605 -5.154 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.837 -0.926 -5.279 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.736 1.193 -6.046 1.00 0.00 C ATOM 0 H VAL B 104 11.457 0.902 -3.693 1.00 0.00 H new ATOM 0 HA VAL B 104 14.356 0.665 -3.035 1.00 0.00 H new ATOM 0 HB VAL B 104 14.811 0.976 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.020 -1.206 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.622 -1.342 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.871 -1.318 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.909 0.895 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.765 0.822 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.752 2.281 -5.974 1.00 0.00 H new ATOM 1623 N CYS B 105 14.689 3.128 -3.945 1.00 0.00 N ATOM 1624 CA CYS B 105 14.799 4.607 -3.977 1.00 0.00 C ATOM 1625 C CYS B 105 13.898 5.157 -5.080 1.00 0.00 C ATOM 1626 O CYS B 105 13.678 4.517 -6.091 1.00 0.00 O ATOM 1627 CB CYS B 105 16.252 4.970 -4.269 1.00 0.00 C ATOM 1628 SG CYS B 105 16.362 6.654 -4.920 1.00 0.00 S ATOM 0 H CYS B 105 15.556 2.631 -4.150 1.00 0.00 H new ATOM 0 HA CYS B 105 14.491 5.034 -3.022 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.845 4.886 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.672 4.267 -4.988 1.00 0.00 H new ATOM 0 HG CYS B 105 17.611 7.007 -5.002 1.00 0.00 H new ATOM 1633 N ALA B 106 13.371 6.331 -4.899 1.00 0.00 N ATOM 1634 CA ALA B 106 12.482 6.920 -5.933 1.00 0.00 C ATOM 1635 C ALA B 106 13.309 7.773 -6.901 1.00 0.00 C ATOM 1636 O ALA B 106 12.821 8.723 -7.481 1.00 0.00 O ATOM 1637 CB ALA B 106 11.434 7.785 -5.239 1.00 0.00 C ATOM 0 H ALA B 106 13.519 6.912 -4.074 1.00 0.00 H new ATOM 0 HA ALA B 106 11.991 6.128 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.773 8.225 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.850 7.170 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.930 8.579 -4.680 1.00 0.00 H new ATOM 1643 N LYS B 107 14.562 7.435 -7.081 1.00 0.00 N ATOM 1644 CA LYS B 107 15.431 8.223 -8.014 1.00 0.00 C ATOM 1645 C LYS B 107 16.313 7.277 -8.833 1.00 0.00 C ATOM 1646 O LYS B 107 16.667 7.565 -9.959 1.00 0.00 O ATOM 1647 CB LYS B 107 16.340 9.158 -7.206 1.00 0.00 C ATOM 1648 CG LYS B 107 17.176 10.027 -8.155 1.00 0.00 C ATOM 1649 CD LYS B 107 16.253 10.885 -9.031 1.00 0.00 C ATOM 1650 CE LYS B 107 16.950 12.201 -9.387 1.00 0.00 C ATOM 1651 NZ LYS B 107 16.811 13.157 -8.250 1.00 0.00 N ATOM 0 H LYS B 107 15.022 6.648 -6.623 1.00 0.00 H new ATOM 0 HA LYS B 107 14.792 8.803 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.737 9.792 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.997 8.573 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.845 10.668 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.803 9.394 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS B 107 15.993 10.343 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.321 11.088 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.004 12.022 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.511 12.626 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 16.781 14.130 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.932 12.955 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.623 13.053 -7.608 1.00 0.00 H new ATOM 1665 N CYS B 108 16.692 6.160 -8.269 1.00 0.00 N ATOM 1666 CA CYS B 108 17.577 5.205 -9.005 1.00 0.00 C ATOM 1667 C CYS B 108 16.983 3.799 -8.967 1.00 0.00 C ATOM 1668 O CYS B 108 17.378 2.933 -9.720 1.00 0.00 O ATOM 1669 CB CYS B 108 18.944 5.191 -8.328 1.00 0.00 C ATOM 1670 SG CYS B 108 18.758 4.543 -6.654 1.00 0.00 S ATOM 0 H CYS B 108 16.427 5.866 -7.329 1.00 0.00 H new ATOM 0 HA CYS B 108 17.669 5.520 -10.044 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.640 4.574 -8.896 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.361 6.198 -8.299 1.00 0.00 H new ATOM 0 HG CYS B 108 17.989 5.334 -5.966 1.00 0.00 H new ATOM 1675 N GLU B 109 16.038 3.565 -8.098 1.00 0.00 N ATOM 1676 CA GLU B 109 15.418 2.221 -8.006 1.00 0.00 C ATOM 1677 C GLU B 109 16.402 1.228 -7.388 1.00 0.00 C ATOM 1678 O GLU B 109 16.571 0.130 -7.874 1.00 0.00 O ATOM 1679 CB GLU B 109 14.989 1.733 -9.396 1.00 0.00 C ATOM 1680 CG GLU B 109 14.392 2.899 -10.197 1.00 0.00 C ATOM 1681 CD GLU B 109 13.376 2.359 -11.208 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.251 2.104 -10.812 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.742 2.211 -12.363 1.00 0.00 O ATOM 0 H GLU B 109 15.669 4.256 -7.444 1.00 0.00 H new ATOM 0 HA GLU B 109 14.535 2.290 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.846 1.317 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.255 0.933 -9.300 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.909 3.607 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.183 3.441 -10.715 1.00 0.00 H new ATOM 1690 N LYS B 110 17.023 1.600 -6.300 1.00 0.00 N ATOM 1691 CA LYS B 110 17.967 0.666 -5.619 1.00 0.00 C ATOM 1692 C LYS B 110 17.231 0.064 -4.410 1.00 0.00 C ATOM 1693 O LYS B 110 16.945 0.769 -3.462 1.00 0.00 O ATOM 1694 CB LYS B 110 19.203 1.432 -5.141 1.00 0.00 C ATOM 1695 CG LYS B 110 20.345 0.445 -4.857 1.00 0.00 C ATOM 1696 CD LYS B 110 20.363 0.081 -3.372 1.00 0.00 C ATOM 1697 CE LYS B 110 21.518 -0.883 -3.094 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.784 -0.309 -3.632 1.00 0.00 N ATOM 0 H LYS B 110 16.917 2.511 -5.853 1.00 0.00 H new ATOM 0 HA LYS B 110 18.291 -0.118 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.512 2.152 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.966 1.998 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.218 -0.455 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.299 0.888 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.474 0.981 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.416 -0.378 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.611 -1.056 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.319 -1.850 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.596 -0.752 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.840 -0.490 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.800 0.717 -3.461 1.00 0.00 H new ATOM 1712 N PRO B 111 16.902 -1.206 -4.484 1.00 0.00 N ATOM 1713 CA PRO B 111 16.151 -1.878 -3.408 1.00 0.00 C ATOM 1714 C PRO B 111 16.982 -2.035 -2.142 1.00 0.00 C ATOM 1715 O PRO B 111 18.139 -2.398 -2.170 1.00 0.00 O ATOM 1716 CB PRO B 111 15.804 -3.257 -3.971 1.00 0.00 C ATOM 1717 CG PRO B 111 16.551 -3.416 -5.313 1.00 0.00 C ATOM 1718 CD PRO B 111 17.241 -2.077 -5.626 1.00 0.00 C ATOM 0 HA PRO B 111 15.273 -1.296 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO B 111 16.099 -4.041 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.728 -3.351 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.285 -4.219 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.855 -3.683 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.320 -2.200 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.882 -1.656 -6.565 1.00 0.00 H new ATOM 1726 N PHE B 112 16.363 -1.794 -1.024 1.00 0.00 N ATOM 1727 CA PHE B 112 17.075 -1.959 0.280 1.00 0.00 C ATOM 1728 C PHE B 112 16.763 -3.346 0.842 1.00 0.00 C ATOM 1729 O PHE B 112 16.265 -3.475 1.945 1.00 0.00 O ATOM 1730 CB PHE B 112 17.393 -0.718 1.998 1.00 0.00 C ATOM 1731 CG PHE B 112 16.280 0.373 0.561 1.00 0.00 C ATOM 1732 CD1 PHE B 112 15.038 0.527 -0.060 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.215 1.410 0.525 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.731 1.724 -0.722 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.911 2.601 -0.136 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.668 2.762 -0.759 1.00 0.00 C ATOM 0 H PHE B 112 15.392 -1.489 -0.952 1.00 0.00 H new ATOM 0 HA PHE B 112 17.971 -1.592 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.916 -0.989 2.940 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.407 -0.396 2.235 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.315 -0.275 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.173 1.290 1.009 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.772 1.845 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.637 3.400 -0.167 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.433 3.686 -1.267 1.00 0.00 H new ATOM 1745 N LEU B 113 17.045 -4.379 0.103 1.00 0.00 N ATOM 1746 CA LEU B 113 16.758 -5.756 0.605 1.00 0.00 C ATOM 1747 C LEU B 113 17.089 -5.821 2.095 1.00 0.00 C ATOM 1748 O LEU B 113 16.263 -6.168 2.917 1.00 0.00 O ATOM 1749 CB LEU B 113 17.633 -6.762 -0.149 1.00 0.00 C ATOM 1750 CG LEU B 113 16.918 -7.196 -1.435 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.637 -5.969 -2.280 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.802 -8.161 -2.224 1.00 0.00 C ATOM 0 H LEU B 113 17.462 -4.334 -0.827 1.00 0.00 H new ATOM 0 HA LEU B 113 15.706 -5.995 0.447 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.597 -6.314 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.833 -7.630 0.480 1.00 0.00 H new ATOM 0 HG LEU B 113 15.984 -7.697 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU B 113 16.129 -6.267 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU B 113 16.003 -5.280 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.577 -5.476 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.287 -8.464 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.738 -7.667 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU B 113 18.012 -9.041 -1.616 1.00 0.00 H new ATOM 1764 N GLY B 114 18.293 -5.472 2.445 1.00 0.00 N ATOM 1765 CA GLY B 114 18.703 -5.488 3.875 1.00 0.00 C ATOM 1766 C GLY B 114 19.467 -4.202 4.188 1.00 0.00 C ATOM 1767 O GLY B 114 20.351 -4.179 5.019 1.00 0.00 O ATOM 0 H GLY B 114 19.019 -5.173 1.794 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.826 -5.571 4.517 1.00 0.00 H new ATOM 0 HA3 GLY B 114 19.329 -6.357 4.077 1.00 0.00 H new ATOM 1771 N HIS B 115 19.134 -3.131 3.516 1.00 0.00 N ATOM 1772 CA HIS B 115 19.842 -1.835 3.757 1.00 0.00 C ATOM 1773 C HIS B 115 18.860 -0.800 4.313 1.00 0.00 C ATOM 1774 O HIS B 115 17.687 -1.065 4.482 1.00 0.00 O ATOM 1775 CB HIS B 115 20.435 -1.324 2.437 1.00 0.00 C ATOM 1776 CG HIS B 115 20.825 -2.491 1.573 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.628 -2.492 0.199 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.399 -3.700 1.870 1.00 0.00 C ATOM 1779 CE1 HIS B 115 21.080 -3.670 -0.272 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.561 -4.444 0.704 1.00 0.00 N ATOM 0 H HIS B 115 18.400 -3.096 2.808 1.00 0.00 H new ATOM 0 HA HIS B 115 20.642 -1.992 4.480 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.707 -0.701 1.917 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.306 -0.699 2.636 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.683 -4.026 2.860 1.00 0.00 H new ATOM 0 HE1 HIS B 115 21.056 -3.954 -1.314 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.961 -5.378 0.615 1.00 0.00 H new ATOM 1788 N ARG B 116 19.340 0.383 4.594 1.00 0.00 N ATOM 1789 CA ARG B 116 18.448 1.451 5.139 1.00 0.00 C ATOM 1790 C ARG B 116 17.941 2.325 3.986 1.00 0.00 C ATOM 1791 O ARG B 116 18.646 2.570 3.029 1.00 0.00 O ATOM 1792 CB ARG B 116 19.247 2.318 6.122 1.00 0.00 C ATOM 1793 CG ARG B 116 18.516 3.645 6.369 1.00 0.00 C ATOM 1794 CD ARG B 116 19.116 4.343 7.591 1.00 0.00 C ATOM 1795 NE ARG B 116 18.270 5.513 7.960 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.411 6.076 9.129 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.293 5.617 9.972 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.669 7.102 9.451 1.00 0.00 N ATOM 0 H ARG B 116 20.315 0.657 4.469 1.00 0.00 H new ATOM 0 HA ARG B 116 17.600 0.998 5.653 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.379 1.786 7.064 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.243 2.511 5.723 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.602 4.287 5.493 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.453 3.462 6.528 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.177 3.647 8.427 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.133 4.670 7.374 1.00 0.00 H new ATOM 0 HE ARG B 116 17.581 5.874 7.300 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.873 4.818 9.718 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.403 6.057 10.885 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.981 7.462 8.789 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.778 7.543 10.364 1.00 0.00 H new ATOM 1812 N HIS B 117 16.726 2.804 4.080 1.00 0.00 N ATOM 1813 CA HIS B 117 16.178 3.673 2.994 1.00 0.00 C ATOM 1814 C HIS B 117 15.903 5.065 3.548 1.00 0.00 C ATOM 1815 O HIS B 117 15.958 5.300 4.739 1.00 0.00 O ATOM 1816 CB HIS B 117 14.877 3.096 2.454 1.00 0.00 C ATOM 1817 CG HIS B 117 14.024 2.625 3.600 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.130 1.349 4.129 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.044 3.254 4.329 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.238 1.250 5.132 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.552 2.385 5.298 1.00 0.00 N ATOM 0 H HIS B 117 16.091 2.632 4.860 1.00 0.00 H new ATOM 0 HA HIS B 117 16.910 3.724 2.188 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.344 3.851 1.876 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.087 2.267 1.778 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.707 4.268 4.174 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.094 0.362 5.730 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.824 2.574 5.987 1.00 0.00 H new ATOM 1829 N TYR B 118 15.625 5.989 2.677 1.00 0.00 N ATOM 1830 CA TYR B 118 15.361 7.383 3.111 1.00 0.00 C ATOM 1831 C TYR B 118 14.090 7.888 2.414 1.00 0.00 C ATOM 1832 O TYR B 118 13.867 7.627 1.250 1.00 0.00 O ATOM 1833 CB TYR B 118 16.580 8.215 2.729 1.00 0.00 C ATOM 1834 CG TYR B 118 17.813 7.465 3.186 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.194 6.277 2.539 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.561 7.930 4.274 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.313 5.564 2.982 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.676 7.207 4.715 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.048 6.027 4.072 1.00 0.00 C ATOM 1840 OH TYR B 118 21.145 5.317 4.518 1.00 0.00 O ATOM 0 H TYR B 118 15.569 5.835 1.670 1.00 0.00 H new ATOM 0 HA TYR B 118 15.200 7.453 4.187 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.609 8.378 1.652 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.534 9.198 3.199 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.622 5.914 1.698 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.278 8.845 4.773 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.607 4.655 2.479 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.250 7.565 5.557 1.00 0.00 H new ATOM 0 HH TYR B 118 21.266 4.519 3.962 1.00 0.00 H new ATOM 1850 N GLU B 119 13.237 8.576 3.132 1.00 0.00 N ATOM 1851 CA GLU B 119 11.953 9.056 2.526 1.00 0.00 C ATOM 1852 C GLU B 119 11.986 10.566 2.286 1.00 0.00 C ATOM 1853 O GLU B 119 12.599 11.316 3.019 1.00 0.00 O ATOM 1854 CB GLU B 119 10.801 8.732 3.482 1.00 0.00 C ATOM 1855 CG GLU B 119 10.361 7.281 3.279 1.00 0.00 C ATOM 1856 CD GLU B 119 9.400 6.877 4.399 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.212 7.094 4.238 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.870 6.355 5.397 1.00 0.00 O ATOM 0 H GLU B 119 13.373 8.827 4.111 1.00 0.00 H new ATOM 0 HA GLU B 119 11.814 8.555 1.568 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.117 8.886 4.514 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.964 9.406 3.301 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.874 7.170 2.310 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.230 6.623 3.276 1.00 0.00 H new ATOM 1865 N ARG B 120 11.306 11.011 1.262 1.00 0.00 N ATOM 1866 CA ARG B 120 11.269 12.472 0.961 1.00 0.00 C ATOM 1867 C ARG B 120 9.964 12.834 0.245 1.00 0.00 C ATOM 1868 O ARG B 120 9.589 12.229 -0.741 1.00 0.00 O ATOM 1869 CB ARG B 120 12.444 12.854 0.068 1.00 0.00 C ATOM 1870 CG ARG B 120 12.470 14.379 -0.127 1.00 0.00 C ATOM 1871 CD ARG B 120 12.415 14.716 -1.618 1.00 0.00 C ATOM 1872 NE ARG B 120 11.279 13.990 -2.256 1.00 0.00 N ATOM 1873 CZ ARG B 120 10.875 14.332 -3.449 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.466 15.307 -4.083 1.00 0.00 N ATOM 1875 NH2 ARG B 120 9.881 13.697 -4.008 1.00 0.00 N ATOM 0 H ARG B 120 10.774 10.424 0.620 1.00 0.00 H new ATOM 0 HA ARG B 120 11.331 13.017 1.903 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.379 12.519 0.517 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.357 12.355 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.625 14.834 0.389 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.375 14.795 0.315 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.294 15.791 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.353 14.437 -2.098 1.00 0.00 H new ATOM 0 HE ARG B 120 10.818 13.227 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.244 15.802 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.150 15.574 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.420 12.934 -3.512 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.565 13.964 -4.940 1.00 0.00 H new ATOM 1889 N LYS B 121 9.281 13.830 0.735 1.00 0.00 N ATOM 1890 CA LYS B 121 8.007 14.268 0.102 1.00 0.00 C ATOM 1891 C LYS B 121 7.095 13.069 -0.080 1.00 0.00 C ATOM 1892 O LYS B 121 6.202 13.073 -0.903 1.00 0.00 O ATOM 1893 CB LYS B 121 8.288 14.911 -1.255 1.00 0.00 C ATOM 1894 CG LYS B 121 9.017 16.242 -1.056 1.00 0.00 C ATOM 1895 CD LYS B 121 8.962 17.053 -2.353 1.00 0.00 C ATOM 1896 CE LYS B 121 9.643 18.405 -2.137 1.00 0.00 C ATOM 1897 NZ LYS B 121 8.781 19.264 -1.279 1.00 0.00 N ATOM 0 H LYS B 121 9.555 14.366 1.558 1.00 0.00 H new ATOM 0 HA LYS B 121 7.522 15.001 0.746 1.00 0.00 H new ATOM 0 HB2 LYS B 121 8.893 14.242 -1.867 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.353 15.074 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.556 16.804 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.054 16.062 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.458 16.508 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS B 121 7.926 17.200 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.616 18.263 -1.667 1.00 0.00 H new ATOM 0 HE3 LYS B 121 9.820 18.892 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.096 20.253 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 7.793 19.191 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 8.851 18.949 -0.290 1.00 0.00 H new ATOM 1911 N GLY B 122 7.303 12.044 0.688 1.00 0.00 N ATOM 1912 CA GLY B 122 6.436 10.848 0.559 1.00 0.00 C ATOM 1913 C GLY B 122 6.986 9.929 -0.522 1.00 0.00 C ATOM 1914 O GLY B 122 6.255 9.228 -1.192 1.00 0.00 O ATOM 0 H GLY B 122 8.033 11.982 1.398 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.388 10.318 1.510 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.419 11.150 0.310 1.00 0.00 H new ATOM 1918 N LEU B 123 8.274 9.925 -0.692 1.00 0.00 N ATOM 1919 CA LEU B 123 8.895 9.047 -1.719 1.00 0.00 C ATOM 1920 C LEU B 123 10.223 8.526 -1.181 1.00 0.00 C ATOM 1921 O LEU B 123 10.940 9.220 -0.488 1.00 0.00 O ATOM 1922 CB LEU B 123 9.138 9.831 -3.009 1.00 0.00 C ATOM 1923 CG LEU B 123 7.858 9.887 -3.845 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.128 10.715 -5.101 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.433 8.463 -4.239 1.00 0.00 C ATOM 0 H LEU B 123 8.930 10.497 -0.160 1.00 0.00 H new ATOM 0 HA LEU B 123 8.226 8.215 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.470 10.842 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.936 9.361 -3.584 1.00 0.00 H new ATOM 0 HG LEU B 123 7.056 10.345 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.223 10.763 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.427 11.723 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.927 10.250 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.521 8.507 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.225 7.995 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.251 7.876 -3.339 1.00 0.00 H new ATOM 1937 N ALA B 124 10.546 7.303 -1.477 1.00 0.00 N ATOM 1938 CA ALA B 124 11.817 6.733 -0.963 1.00 0.00 C ATOM 1939 C ALA B 124 13.006 7.266 -1.751 1.00 0.00 C ATOM 1940 O ALA B 124 12.902 7.606 -2.911 1.00 0.00 O ATOM 1941 CB ALA B 124 11.794 5.213 -1.104 1.00 0.00 C ATOM 0 H ALA B 124 9.986 6.673 -2.052 1.00 0.00 H new ATOM 0 HA ALA B 124 11.916 7.020 0.084 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.728 4.798 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.959 4.807 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.678 4.947 -2.155 1.00 0.00 H new ATOM 1947 N TYR B 125 14.147 7.311 -1.124 1.00 0.00 N ATOM 1948 CA TYR B 125 15.363 7.787 -1.822 1.00 0.00 C ATOM 1949 C TYR B 125 16.575 7.161 -1.159 1.00 0.00 C ATOM 1950 O TYR B 125 16.632 7.040 0.043 1.00 0.00 O ATOM 1951 CB TYR B 125 15.462 9.302 -1.711 1.00 0.00 C ATOM 1952 CG TYR B 125 14.487 9.925 -2.660 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.816 10.064 -4.012 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.251 10.362 -2.190 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.893 10.648 -4.893 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.338 10.939 -3.061 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.652 11.085 -4.415 1.00 0.00 C ATOM 1958 OH TYR B 125 11.744 11.659 -5.279 1.00 0.00 O ATOM 0 H TYR B 125 14.286 7.036 -0.152 1.00 0.00 H new ATOM 0 HA TYR B 125 15.317 7.507 -2.874 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.249 9.619 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.475 9.631 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.774 9.724 -4.376 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.003 10.251 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.140 10.760 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.381 11.277 -2.691 1.00 0.00 H new ATOM 0 HH TYR B 125 10.834 11.475 -4.966 1.00 0.00 H new ATOM 1968 N CYS B 126 17.551 6.763 -1.913 1.00 0.00 N ATOM 1969 CA CYS B 126 18.740 6.160 -1.266 1.00 0.00 C ATOM 1970 C CYS B 126 19.317 7.173 -0.272 1.00 0.00 C ATOM 1971 O CYS B 126 18.848 8.289 -0.168 1.00 0.00 O ATOM 1972 CB CYS B 126 19.814 5.844 -2.306 1.00 0.00 C ATOM 1973 SG CYS B 126 19.260 4.508 -3.380 1.00 0.00 S ATOM 0 H CYS B 126 17.580 6.826 -2.931 1.00 0.00 H new ATOM 0 HA CYS B 126 18.444 5.239 -0.765 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.030 6.733 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.741 5.560 -1.808 1.00 0.00 H new ATOM 0 HG CYS B 126 19.077 4.966 -4.583 1.00 0.00 H new ATOM 1978 N GLU B 127 20.343 6.801 0.433 1.00 0.00 N ATOM 1979 CA GLU B 127 20.971 7.749 1.400 1.00 0.00 C ATOM 1980 C GLU B 127 21.551 8.943 0.639 1.00 0.00 C ATOM 1981 O GLU B 127 21.550 10.061 1.114 1.00 0.00 O ATOM 1982 CB GLU B 127 22.121 7.048 2.131 1.00 0.00 C ATOM 1983 CG GLU B 127 22.627 7.935 3.273 1.00 0.00 C ATOM 1984 CD GLU B 127 23.481 7.099 4.228 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.978 6.071 3.802 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.620 7.502 5.371 1.00 0.00 O ATOM 0 H GLU B 127 20.778 5.880 0.384 1.00 0.00 H new ATOM 0 HA GLU B 127 20.216 8.082 2.112 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.783 6.090 2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.933 6.838 1.434 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.214 8.762 2.873 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.784 8.372 3.809 1.00 0.00 H new ATOM 1993 N THR B 128 22.074 8.700 -0.530 1.00 0.00 N ATOM 1994 CA THR B 128 22.694 9.797 -1.327 1.00 0.00 C ATOM 1995 C THR B 128 21.657 10.520 -2.178 1.00 0.00 C ATOM 1996 O THR B 128 21.658 11.731 -2.258 1.00 0.00 O ATOM 1997 CB THR B 128 23.778 9.211 -2.238 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.818 8.666 -1.440 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.342 10.311 -3.137 1.00 0.00 C ATOM 0 H THR B 128 22.099 7.781 -0.972 1.00 0.00 H new ATOM 0 HA THR B 128 23.129 10.518 -0.635 1.00 0.00 H new ATOM 0 HB THR B 128 23.347 8.426 -2.859 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.512 8.289 -2.020 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.113 9.892 -3.784 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.541 10.727 -3.748 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.775 11.099 -2.520 1.00 0.00 H new ATOM 2007 N HIS B 129 20.780 9.811 -2.822 1.00 0.00 N ATOM 2008 CA HIS B 129 19.779 10.501 -3.662 1.00 0.00 C ATOM 2009 C HIS B 129 18.867 11.296 -2.749 1.00 0.00 C ATOM 2010 O HIS B 129 18.576 12.448 -2.997 1.00 0.00 O ATOM 2011 CB HIS B 129 18.990 9.478 -4.473 1.00 0.00 C ATOM 2012 CG HIS B 129 19.948 8.761 -5.397 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.898 7.389 -5.656 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.011 9.232 -6.131 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.899 7.102 -6.508 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.607 8.186 -6.828 1.00 0.00 N ATOM 0 H HIS B 129 20.715 8.793 -2.802 1.00 0.00 H new ATOM 0 HA HIS B 129 20.265 11.176 -4.366 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.498 8.766 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.207 9.972 -5.048 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.335 10.262 -6.162 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.105 6.112 -6.887 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.413 8.237 -7.451 1.00 0.00 H new ATOM 2024 N TYR B 130 18.452 10.716 -1.666 1.00 0.00 N ATOM 2025 CA TYR B 130 17.604 11.462 -0.728 1.00 0.00 C ATOM 2026 C TYR B 130 18.307 12.763 -0.428 1.00 0.00 C ATOM 2027 O TYR B 130 17.780 13.841 -0.610 1.00 0.00 O ATOM 2028 CB TYR B 130 17.500 10.667 0.565 1.00 0.00 C ATOM 2029 CG TYR B 130 16.874 11.522 1.636 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.838 12.400 1.311 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.334 11.438 2.956 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.261 13.189 2.300 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.752 12.233 3.948 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.714 13.110 3.621 1.00 0.00 C ATOM 2035 OH TYR B 130 15.139 13.893 4.599 1.00 0.00 O ATOM 0 H TYR B 130 18.667 9.756 -1.395 1.00 0.00 H new ATOM 0 HA TYR B 130 16.612 11.633 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.901 9.770 0.405 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.490 10.337 0.881 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.485 12.466 0.292 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.137 10.761 3.207 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.459 13.866 2.047 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.104 12.169 4.967 1.00 0.00 H new ATOM 0 HH TYR B 130 15.717 14.662 4.785 1.00 0.00 H new ATOM 2045 N ASN B 131 19.505 12.643 0.038 1.00 0.00 N ATOM 2046 CA ASN B 131 20.285 13.848 0.364 1.00 0.00 C ATOM 2047 C ASN B 131 20.544 14.633 -0.916 1.00 0.00 C ATOM 2048 O ASN B 131 20.375 15.836 -0.955 1.00 0.00 O ATOM 2049 CB ASN B 131 21.610 13.453 1.015 1.00 0.00 C ATOM 2050 CG ASN B 131 21.372 13.084 2.480 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.341 13.945 3.339 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.203 11.833 2.806 1.00 0.00 N ATOM 0 H ASN B 131 19.980 11.756 0.208 1.00 0.00 H new ATOM 0 HA ASN B 131 19.726 14.468 1.065 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.050 12.609 0.484 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.320 14.277 0.948 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.045 11.577 3.781 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.229 11.111 2.086 1.00 0.00 H new ATOM 2059 N GLN B 132 20.931 13.973 -1.974 1.00 0.00 N ATOM 2060 CA GLN B 132 21.161 14.724 -3.239 1.00 0.00 C ATOM 2061 C GLN B 132 19.886 15.494 -3.529 1.00 0.00 C ATOM 2062 O GLN B 132 19.896 16.598 -4.037 1.00 0.00 O ATOM 2063 CB GLN B 132 21.452 13.758 -4.397 1.00 0.00 C ATOM 2064 CG GLN B 132 22.158 14.513 -5.527 1.00 0.00 C ATOM 2065 CD GLN B 132 23.618 14.762 -5.143 1.00 0.00 C ATOM 2066 OE1 GLN B 132 23.998 14.583 -4.004 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.457 15.171 -6.056 1.00 0.00 N ATOM 0 H GLN B 132 21.095 12.967 -2.018 1.00 0.00 H new ATOM 0 HA GLN B 132 22.018 15.390 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.076 12.935 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.523 13.321 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.107 13.936 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN B 132 21.654 15.461 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.137 15.321 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.433 15.340 -5.813 1.00 0.00 H new ATOM 2076 N LEU B 133 18.779 14.904 -3.180 1.00 0.00 N ATOM 2077 CA LEU B 133 17.466 15.563 -3.388 1.00 0.00 C ATOM 2078 C LEU B 133 17.240 16.600 -2.289 1.00 0.00 C ATOM 2079 O LEU B 133 16.648 17.638 -2.511 1.00 0.00 O ATOM 2080 CB LEU B 133 16.356 14.504 -3.318 1.00 0.00 C ATOM 2081 CG LEU B 133 16.044 13.951 -4.717 1.00 0.00 C ATOM 2082 CD1 LEU B 133 16.900 12.717 -5.011 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.572 13.557 -4.782 1.00 0.00 C ATOM 0 H LEU B 133 18.730 13.979 -2.753 1.00 0.00 H new ATOM 0 HA LEU B 133 17.451 16.053 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.663 13.691 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.456 14.941 -2.885 1.00 0.00 H new ATOM 0 HG LEU B 133 16.266 14.721 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.665 12.340 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU B 133 17.955 12.987 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.691 11.944 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.344 13.164 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.366 12.793 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU B 133 13.952 14.432 -4.588 1.00 0.00 H new ATOM 2095 N PHE B 134 17.695 16.322 -1.100 1.00 0.00 N ATOM 2096 CA PHE B 134 17.494 17.285 0.020 1.00 0.00 C ATOM 2097 C PHE B 134 18.520 17.029 1.122 1.00 0.00 C ATOM 2098 O PHE B 134 19.530 17.697 1.217 1.00 0.00 O ATOM 2099 CB PHE B 134 16.082 17.095 0.590 1.00 0.00 C ATOM 2100 CG PHE B 134 15.103 17.936 -0.192 1.00 0.00 C ATOM 2101 CD1 PHE B 134 14.918 19.285 0.132 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.385 17.364 -1.245 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.011 20.063 -0.599 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.478 18.140 -1.979 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.292 19.491 -1.653 1.00 0.00 C ATOM 0 H PHE B 134 18.198 15.469 -0.854 1.00 0.00 H new ATOM 0 HA PHE B 134 17.617 18.303 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.797 16.044 0.539 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.062 17.380 1.642 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.475 19.726 0.946 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.529 16.323 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE B 134 13.867 21.104 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE B 134 12.924 17.699 -2.794 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.593 20.090 -2.217 1.00 0.00 H new ATOM 2115 N GLY B 135 18.258 16.069 1.959 1.00 0.00 N ATOM 2116 CA GLY B 135 19.204 15.760 3.071 1.00 0.00 C ATOM 2117 C GLY B 135 18.871 16.631 4.283 1.00 0.00 C ATOM 2118 O GLY B 135 19.734 17.000 5.053 1.00 0.00 O ATOM 0 H GLY B 135 17.426 15.480 1.924 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.135 14.705 3.338 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.230 15.942 2.751 1.00 0.00 H new ATOM 2122 N ASP B 136 17.622 16.965 4.455 1.00 0.00 N ATOM 2123 CA ASP B 136 17.228 17.812 5.615 1.00 0.00 C ATOM 2124 C ASP B 136 18.159 19.023 5.702 1.00 0.00 C ATOM 2125 O ASP B 136 18.723 19.313 6.737 1.00 0.00 O ATOM 2126 CB ASP B 136 17.333 16.995 6.903 1.00 0.00 C ATOM 2127 CG ASP B 136 16.183 15.988 6.963 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.527 15.805 5.951 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.979 15.418 8.023 1.00 0.00 O ATOM 0 H ASP B 136 16.856 16.687 3.841 1.00 0.00 H new ATOM 0 HA ASP B 136 16.201 18.152 5.484 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.289 16.473 6.939 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.298 17.656 7.769 1.00 0.00 H new ATOM 2134 N VAL B 137 18.325 19.735 4.620 1.00 0.00 N ATOM 2135 CA VAL B 137 19.219 20.928 4.642 1.00 0.00 C ATOM 2136 C VAL B 137 18.907 21.821 3.439 1.00 0.00 C ATOM 2137 O VAL B 137 19.336 21.628 3.382 1.00 0.00 O ATOM 2138 CB VAL B 137 20.678 20.471 4.575 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.938 19.789 3.230 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.596 21.687 4.713 1.00 0.00 C ATOM 0 H VAL B 137 17.880 19.542 3.722 1.00 0.00 H new ATOM 0 HA VAL B 137 19.056 21.489 5.562 1.00 0.00 H new ATOM 0 HB VAL B 137 20.877 19.768 5.384 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.977 19.463 3.182 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.282 18.925 3.127 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.740 20.492 2.421 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.636 21.365 4.666 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.396 22.388 3.902 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.411 22.176 5.669 1.00 0.00 H new