USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1592 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: Y 105 HIS : no HE2:sc= -5.85 K(o=-7.5,f=-9.4!) USER MOD Set 1.2: Y 109 MET CE :methyl -118:sc= -1.67 (180deg=0) USER MOD Set 2.1: X 105 HIS : no HE2:sc= -4.91 K(o=-6.6,f=-8.1!) USER MOD Set 2.2: X 109 MET CE :methyl -118:sc= -1.68 (180deg=0) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.272 X(o=-0.29,f=-0.086) USER MOD Set 3.2: B 85 HIS : no HE2:sc= -0.0142 X(o=-0.29,f=-0.13) USER MOD Set 4.1: B 37 ASN : amide:sc= -1.59! K(o=-9.9!,f=-0.02) USER MOD Set 4.2: B 38 ASN : amide:sc= -8.34! K(o=-9.9!,f=-0.02) USER MOD Set 5.1: A 16 GLN : amide:sc= 0.308 K(o=0.32,f=-6.2!) USER MOD Set 5.2: B 1 SER OG : rot 180:sc= 0.01 USER MOD Set 6.1: A 85 HIS : no HE2:sc= 0 X(o=-0.23,f=-0.13) USER MOD Set 6.2: B 15 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.13) USER MOD Set 7.1: A 79 MET CE :methyl -166:sc= -0.896 (180deg=-1.39) USER MOD Set 7.2: X 111 LYS NZ :NH3+ 143:sc= -2.06 (180deg=-3.78!) USER MOD Set 8.1: A 37 ASN : amide:sc= -1.68! K(o=-10!,f=-0.34) USER MOD Set 8.2: A 38 ASN : amide:sc= -8.44! C(o=-10!,f=-0.34!) USER MOD Set 9.1: A 1 SER OG : rot 180:sc= 0.0351 USER MOD Set 9.2: B 16 GLN : amide:sc= 0.407 K(o=0.44,f=-6.6!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -153:sc= -0.0105 (180deg=-0.279) USER MOD Single : A 5 LYS NZ :NH3+ -111:sc=-0.00331 (180deg=-1.25) USER MOD Single : A 7 MET CE :methyl 159:sc= -0.222 (180deg=-0.837) USER MOD Single : A 17 TYR OH : rot -15:sc= -0.766 USER MOD Single : A 18 SER OG : rot 180:sc= -0.734 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.912 K(o=0.91,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0474 (180deg=-0.482) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.03) USER MOD Single : A 41 SER OG : rot 113:sc= 0.266 USER MOD Single : A 42 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -0.128 (180deg=-0.14) USER MOD Single : A 50 GLN : amide:sc= -4.23! C(o=-4.2!,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -107:sc= -2.49 (180deg=-7.06!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 49:sc= -0.127 USER MOD Single : A 71 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.2!) USER MOD Single : A 74 MET CE :methyl 133:sc= -2.69 (180deg=-5.87!) USER MOD Single : A 78 SER OG : rot -130:sc= -2.99! USER MOD Single : A 81 THR OG1 : rot 88:sc= 0.8 USER MOD Single : A 82 THR OG1 : rot -64:sc= 0.533 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.412 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -154:sc=-0.00399 (180deg=-0.234) USER MOD Single : B 5 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.14) USER MOD Single : B 7 MET CE :methyl 160:sc= -0.139 (180deg=-0.721) USER MOD Single : B 17 TYR OH : rot -15:sc= -0.812 USER MOD Single : B 18 SER OG : rot 180:sc= -0.777 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0.882 K(o=0.88,f=-3.8!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= -0.028 (180deg=-0.426) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.34!) USER MOD Single : B 41 SER OG : rot 180:sc= 0.0976 USER MOD Single : B 42 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.14) USER MOD Single : B 48 LYS NZ :NH3+ 177:sc= -0.172 (180deg=-0.179) USER MOD Single : B 50 GLN : amide:sc= -4.26! C(o=-4.3!,f=-3.1!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl -107:sc= -2.56 (180deg=-7.21!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 45:sc= -0.211 USER MOD Single : B 71 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.91!) USER MOD Single : B 74 MET CE :methyl 135:sc= -2.38 (180deg=-5.73!) USER MOD Single : B 78 SER OG : rot -130:sc= -3.19! USER MOD Single : B 79 MET CE :methyl -168:sc= -0.984 (180deg=-1.39) USER MOD Single : B 81 THR OG1 : rot 84:sc= 0.725 USER MOD Single : B 82 THR OG1 : rot -49:sc= 0.45! USER MOD Single : B 84 CYS SG : rot 180:sc= -0.418 USER MOD Single : X 106 LYS NZ :NH3+ -160:sc= -0.0217 (180deg=-0.251) USER MOD Single : X 107 LYS NZ :NH3+ -172:sc= 0.313 (180deg=0.288) USER MOD Single : X 112 THR OG1 : rot -29:sc= 0.455! USER MOD Single : Y 106 LYS NZ :NH3+ -159:sc= -0.0264 (180deg=-0.274) USER MOD Single : Y 107 LYS NZ :NH3+ -176:sc= 0.118 (180deg=0.115) USER MOD Single : Y 111 LYS NZ :NH3+ 146:sc= -2.16 (180deg=-3.68!) USER MOD Single : Y 112 THR OG1 : rot -28:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.700 -1.631 -13.109 1.00 0.00 N ATOM 2 CA MET A 0 -1.745 -2.249 -13.973 1.00 0.00 C ATOM 3 C MET A 0 -2.937 -1.295 -14.083 1.00 0.00 C ATOM 4 O MET A 0 -3.994 -1.542 -13.536 1.00 0.00 O ATOM 5 CB MET A 0 -2.208 -3.571 -13.353 1.00 0.00 C ATOM 6 CG MET A 0 -1.077 -4.600 -13.431 1.00 0.00 C ATOM 7 SD MET A 0 -1.633 -6.161 -12.700 1.00 0.00 S ATOM 8 CE MET A 0 -0.155 -7.134 -13.080 1.00 0.00 C ATOM 0 H1 MET A 0 0.235 -2.001 -13.376 1.00 0.00 H new ATOM 0 H2 MET A 0 -0.712 -0.599 -13.234 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.892 -1.862 -12.113 1.00 0.00 H new ATOM 0 HA MET A 0 -1.333 -2.439 -14.964 1.00 0.00 H new ATOM 0 HB2 MET A 0 -2.500 -3.415 -12.314 1.00 0.00 H new ATOM 0 HB3 MET A 0 -3.088 -3.942 -13.879 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.783 -4.756 -14.469 1.00 0.00 H new ATOM 0 HG3 MET A 0 -0.198 -4.231 -12.903 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.284 -8.151 -12.710 1.00 0.00 H new ATOM 0 HE2 MET A 0 -0.002 -7.157 -14.159 1.00 0.00 H new ATOM 0 HE3 MET A 0 0.712 -6.681 -12.600 1.00 0.00 H new ATOM 20 N SER A 1 -2.774 -0.202 -14.778 1.00 0.00 N ATOM 21 CA SER A 1 -3.898 0.772 -14.910 1.00 0.00 C ATOM 22 C SER A 1 -4.364 1.188 -13.513 1.00 0.00 C ATOM 23 O SER A 1 -5.424 1.754 -13.338 1.00 0.00 O ATOM 24 CB SER A 1 -5.058 0.127 -15.672 1.00 0.00 C ATOM 25 OG SER A 1 -4.545 -0.598 -16.782 1.00 0.00 O ATOM 0 H SER A 1 -1.914 0.059 -15.260 1.00 0.00 H new ATOM 0 HA SER A 1 -3.559 1.649 -15.461 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.615 -0.540 -15.014 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.754 0.893 -16.014 1.00 0.00 H new ATOM 0 HG SER A 1 -5.285 -1.014 -17.271 1.00 0.00 H new ATOM 31 N GLU A 2 -3.562 0.919 -12.522 1.00 0.00 N ATOM 32 CA GLU A 2 -3.918 1.299 -11.125 1.00 0.00 C ATOM 33 C GLU A 2 -3.751 2.804 -10.971 1.00 0.00 C ATOM 34 O GLU A 2 -4.004 3.371 -9.928 1.00 0.00 O ATOM 35 CB GLU A 2 -2.990 0.576 -10.154 1.00 0.00 C ATOM 36 CG GLU A 2 -3.277 -0.919 -10.228 1.00 0.00 C ATOM 37 CD GLU A 2 -2.359 -1.669 -9.261 1.00 0.00 C ATOM 38 OE1 GLU A 2 -1.447 -1.048 -8.739 1.00 0.00 O ATOM 39 OE2 GLU A 2 -2.583 -2.850 -9.059 1.00 0.00 O ATOM 0 H GLU A 2 -2.664 0.446 -12.621 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.949 1.019 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.949 0.774 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.146 0.941 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.320 -1.112 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.122 -1.279 -11.245 1.00 0.00 H new ATOM 46 N LEU A 3 -3.301 3.448 -12.007 1.00 0.00 N ATOM 47 CA LEU A 3 -3.083 4.913 -11.942 1.00 0.00 C ATOM 48 C LEU A 3 -4.303 5.595 -11.323 1.00 0.00 C ATOM 49 O LEU A 3 -4.205 6.679 -10.796 1.00 0.00 O ATOM 50 CB LEU A 3 -2.840 5.438 -13.357 1.00 0.00 C ATOM 51 CG LEU A 3 -2.673 6.960 -13.351 1.00 0.00 C ATOM 52 CD1 LEU A 3 -1.513 7.359 -12.425 1.00 0.00 C ATOM 53 CD2 LEU A 3 -2.371 7.421 -14.781 1.00 0.00 C ATOM 0 H LEU A 3 -3.073 3.017 -12.903 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.216 5.132 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.948 4.971 -13.775 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.675 5.162 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.587 7.430 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.402 8.443 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.723 7.018 -11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.590 6.899 -12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.249 8.504 -14.796 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.453 6.947 -15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.196 7.140 -15.436 1.00 0.00 H new ATOM 65 N GLU A 4 -5.446 4.971 -11.361 1.00 0.00 N ATOM 66 CA GLU A 4 -6.645 5.603 -10.736 1.00 0.00 C ATOM 67 C GLU A 4 -6.465 5.580 -9.222 1.00 0.00 C ATOM 68 O GLU A 4 -6.841 6.495 -8.517 1.00 0.00 O ATOM 69 CB GLU A 4 -7.907 4.830 -11.133 1.00 0.00 C ATOM 70 CG GLU A 4 -7.851 3.408 -10.567 1.00 0.00 C ATOM 71 CD GLU A 4 -9.040 2.605 -11.099 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.998 3.222 -11.536 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.973 1.387 -11.061 1.00 0.00 O ATOM 0 H GLU A 4 -5.604 4.060 -11.792 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.752 6.632 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.792 5.345 -10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.995 4.795 -12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.916 2.927 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.875 3.437 -9.478 1.00 0.00 H new ATOM 80 N LYS A 5 -5.883 4.527 -8.729 1.00 0.00 N ATOM 81 CA LYS A 5 -5.650 4.397 -7.266 1.00 0.00 C ATOM 82 C LYS A 5 -4.580 5.394 -6.825 1.00 0.00 C ATOM 83 O LYS A 5 -4.663 5.973 -5.765 1.00 0.00 O ATOM 84 CB LYS A 5 -5.168 2.974 -6.979 1.00 0.00 C ATOM 85 CG LYS A 5 -4.929 2.786 -5.481 1.00 0.00 C ATOM 86 CD LYS A 5 -4.473 1.345 -5.223 1.00 0.00 C ATOM 87 CE LYS A 5 -3.048 1.128 -5.757 1.00 0.00 C ATOM 88 NZ LYS A 5 -2.422 -0.010 -5.026 1.00 0.00 N ATOM 0 H LYS A 5 -5.554 3.738 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.572 4.601 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.908 2.255 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.247 2.777 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.173 3.488 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.843 2.997 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.503 1.133 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.159 0.648 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.075 0.919 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.455 2.033 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.659 0.347 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.140 -0.484 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.030 -0.688 -5.710 1.00 0.00 H new ATOM 102 N ALA A 6 -3.558 5.569 -7.614 1.00 0.00 N ATOM 103 CA ALA A 6 -2.465 6.502 -7.221 1.00 0.00 C ATOM 104 C ALA A 6 -2.941 7.955 -7.235 1.00 0.00 C ATOM 105 O ALA A 6 -2.583 8.732 -6.378 1.00 0.00 O ATOM 106 CB ALA A 6 -1.286 6.337 -8.183 1.00 0.00 C ATOM 0 H ALA A 6 -3.432 5.107 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.155 6.258 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.485 7.019 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.922 5.311 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.611 6.564 -9.199 1.00 0.00 H new ATOM 112 N MET A 7 -3.727 8.338 -8.195 1.00 0.00 N ATOM 113 CA MET A 7 -4.202 9.750 -8.239 1.00 0.00 C ATOM 114 C MET A 7 -5.095 10.034 -7.038 1.00 0.00 C ATOM 115 O MET A 7 -5.043 11.092 -6.437 1.00 0.00 O ATOM 116 CB MET A 7 -5.000 9.991 -9.522 1.00 0.00 C ATOM 117 CG MET A 7 -4.067 9.966 -10.732 1.00 0.00 C ATOM 118 SD MET A 7 -4.998 10.446 -12.208 1.00 0.00 S ATOM 119 CE MET A 7 -3.577 10.715 -13.292 1.00 0.00 C ATOM 0 H MET A 7 -4.062 7.740 -8.950 1.00 0.00 H new ATOM 0 HA MET A 7 -3.336 10.412 -8.216 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.769 9.227 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 7 -5.511 10.952 -9.467 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.231 10.648 -10.576 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.645 8.969 -10.861 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.897 10.655 -14.332 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.153 11.700 -13.099 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.823 9.952 -13.100 1.00 0.00 H new ATOM 129 N VAL A 8 -5.919 9.097 -6.691 1.00 0.00 N ATOM 130 CA VAL A 8 -6.833 9.296 -5.536 1.00 0.00 C ATOM 131 C VAL A 8 -6.009 9.384 -4.253 1.00 0.00 C ATOM 132 O VAL A 8 -6.316 10.134 -3.352 1.00 0.00 O ATOM 133 CB VAL A 8 -7.809 8.119 -5.441 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.582 8.194 -4.119 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.792 8.171 -6.615 1.00 0.00 C ATOM 0 H VAL A 8 -6.002 8.194 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.398 10.218 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.250 7.184 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.275 7.355 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.882 8.150 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.139 9.130 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.486 7.333 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.349 9.107 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.241 8.110 -7.554 1.00 0.00 H new ATOM 145 N ALA A 9 -4.990 8.586 -4.163 1.00 0.00 N ATOM 146 CA ALA A 9 -4.140 8.558 -2.938 1.00 0.00 C ATOM 147 C ALA A 9 -3.376 9.872 -2.757 1.00 0.00 C ATOM 148 O ALA A 9 -3.203 10.343 -1.655 1.00 0.00 O ATOM 149 CB ALA A 9 -3.147 7.410 -3.049 1.00 0.00 C ATOM 0 H ALA A 9 -4.701 7.939 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.788 8.421 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.521 7.383 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.688 6.468 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.519 7.556 -3.928 1.00 0.00 H new ATOM 155 N LEU A 10 -2.905 10.463 -3.817 1.00 0.00 N ATOM 156 CA LEU A 10 -2.144 11.736 -3.672 1.00 0.00 C ATOM 157 C LEU A 10 -3.059 12.764 -3.018 1.00 0.00 C ATOM 158 O LEU A 10 -2.649 13.543 -2.184 1.00 0.00 O ATOM 159 CB LEU A 10 -1.712 12.234 -5.074 1.00 0.00 C ATOM 160 CG LEU A 10 -0.206 12.050 -5.284 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.114 10.562 -5.404 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.210 12.775 -6.567 1.00 0.00 C ATOM 0 H LEU A 10 -3.012 10.124 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.255 11.584 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.259 11.687 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.972 13.287 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 10 0.340 12.464 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.186 10.431 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.190 10.050 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.425 10.141 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.281 12.650 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.333 12.356 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.022 13.836 -6.477 1.00 0.00 H new ATOM 174 N ILE A 11 -4.292 12.769 -3.407 1.00 0.00 N ATOM 175 CA ILE A 11 -5.253 13.739 -2.833 1.00 0.00 C ATOM 176 C ILE A 11 -5.557 13.392 -1.365 1.00 0.00 C ATOM 177 O ILE A 11 -5.696 14.269 -0.537 1.00 0.00 O ATOM 178 CB ILE A 11 -6.527 13.723 -3.683 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.209 14.358 -5.046 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.632 14.522 -2.988 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.349 14.101 -6.036 1.00 0.00 C ATOM 0 H ILE A 11 -4.682 12.137 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.825 14.741 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.871 12.697 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.057 15.431 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.279 13.946 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.534 14.505 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.845 14.078 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.305 15.553 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.107 14.558 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.481 13.027 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.271 14.535 -5.650 1.00 0.00 H new ATOM 193 N ASP A 12 -5.681 12.131 -1.031 1.00 0.00 N ATOM 194 CA ASP A 12 -5.998 11.768 0.386 1.00 0.00 C ATOM 195 C ASP A 12 -4.901 12.268 1.342 1.00 0.00 C ATOM 196 O ASP A 12 -5.181 12.811 2.392 1.00 0.00 O ATOM 197 CB ASP A 12 -6.108 10.246 0.505 1.00 0.00 C ATOM 198 CG ASP A 12 -7.371 9.765 -0.213 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.234 10.588 -0.469 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.455 8.580 -0.492 1.00 0.00 O ATOM 0 H ASP A 12 -5.578 11.344 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.941 12.240 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.228 9.773 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.141 9.955 1.555 1.00 0.00 H new ATOM 205 N VAL A 13 -3.658 12.081 0.989 1.00 0.00 N ATOM 206 CA VAL A 13 -2.536 12.532 1.872 1.00 0.00 C ATOM 207 C VAL A 13 -2.454 14.067 1.850 1.00 0.00 C ATOM 208 O VAL A 13 -2.132 14.700 2.833 1.00 0.00 O ATOM 209 CB VAL A 13 -1.213 11.866 1.375 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.195 12.905 0.886 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.566 11.053 2.507 1.00 0.00 C ATOM 0 H VAL A 13 -3.366 11.632 0.121 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.705 12.228 2.905 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.482 11.216 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.709 12.398 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.622 13.472 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.052 13.584 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.355 10.595 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.339 11.712 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.254 10.274 2.835 1.00 0.00 H new ATOM 221 N PHE A 14 -2.736 14.671 0.739 1.00 0.00 N ATOM 222 CA PHE A 14 -2.659 16.150 0.684 1.00 0.00 C ATOM 223 C PHE A 14 -3.601 16.724 1.734 1.00 0.00 C ATOM 224 O PHE A 14 -3.287 17.683 2.398 1.00 0.00 O ATOM 225 CB PHE A 14 -3.058 16.648 -0.707 1.00 0.00 C ATOM 226 CG PHE A 14 -3.113 18.156 -0.695 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.965 18.905 -0.973 1.00 0.00 C ATOM 228 CD2 PHE A 14 -4.315 18.805 -0.388 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.020 20.300 -0.947 1.00 0.00 C ATOM 230 CE2 PHE A 14 -4.369 20.201 -0.361 1.00 0.00 C ATOM 231 CZ PHE A 14 -3.221 20.949 -0.640 1.00 0.00 C ATOM 0 H PHE A 14 -3.014 14.211 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.638 16.474 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.339 16.304 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.028 16.239 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.037 18.405 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.201 18.226 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.134 20.879 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.296 20.702 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.261 22.028 -0.619 1.00 0.00 H new ATOM 241 N HIS A 15 -4.750 16.142 1.891 1.00 0.00 N ATOM 242 CA HIS A 15 -5.703 16.653 2.908 1.00 0.00 C ATOM 243 C HIS A 15 -5.157 16.352 4.304 1.00 0.00 C ATOM 244 O HIS A 15 -5.542 16.969 5.279 1.00 0.00 O ATOM 245 CB HIS A 15 -7.057 15.963 2.735 1.00 0.00 C ATOM 246 CG HIS A 15 -7.708 16.436 1.465 1.00 0.00 C ATOM 247 ND1 HIS A 15 -8.058 17.764 1.260 1.00 0.00 N ATOM 248 CD2 HIS A 15 -8.085 15.768 0.327 1.00 0.00 C ATOM 249 CE1 HIS A 15 -8.620 17.850 0.039 1.00 0.00 C ATOM 250 NE2 HIS A 15 -8.660 16.662 -0.567 1.00 0.00 N ATOM 0 H HIS A 15 -5.072 15.333 1.359 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.826 17.729 2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.924 14.882 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.699 16.182 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.955 14.710 0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.992 18.766 -0.395 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.034 16.454 -1.493 1.00 0.00 H new ATOM 259 N GLN A 16 -4.280 15.393 4.413 1.00 0.00 N ATOM 260 CA GLN A 16 -3.733 15.037 5.747 1.00 0.00 C ATOM 261 C GLN A 16 -3.020 16.245 6.374 1.00 0.00 C ATOM 262 O GLN A 16 -3.192 16.528 7.543 1.00 0.00 O ATOM 263 CB GLN A 16 -2.742 13.880 5.572 1.00 0.00 C ATOM 264 CG GLN A 16 -2.279 13.379 6.930 1.00 0.00 C ATOM 265 CD GLN A 16 -1.481 12.088 6.751 1.00 0.00 C ATOM 266 OE1 GLN A 16 -1.530 11.470 5.707 1.00 0.00 O ATOM 267 NE2 GLN A 16 -0.738 11.656 7.732 1.00 0.00 N ATOM 0 H GLN A 16 -3.920 14.842 3.634 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.546 14.740 6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.213 13.068 5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.884 14.211 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.664 14.135 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.138 13.201 7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.698 12.176 8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.197 10.798 7.623 1.00 0.00 H new ATOM 276 N TYR A 17 -2.214 16.959 5.623 1.00 0.00 N ATOM 277 CA TYR A 17 -1.490 18.144 6.211 1.00 0.00 C ATOM 278 C TYR A 17 -2.231 19.461 5.939 1.00 0.00 C ATOM 279 O TYR A 17 -2.230 20.359 6.756 1.00 0.00 O ATOM 280 CB TYR A 17 -0.092 18.228 5.599 1.00 0.00 C ATOM 281 CG TYR A 17 0.744 17.104 6.145 1.00 0.00 C ATOM 282 CD1 TYR A 17 0.616 15.826 5.602 1.00 0.00 C ATOM 283 CD2 TYR A 17 1.627 17.335 7.206 1.00 0.00 C ATOM 284 CE1 TYR A 17 1.371 14.771 6.112 1.00 0.00 C ATOM 285 CE2 TYR A 17 2.384 16.281 7.725 1.00 0.00 C ATOM 286 CZ TYR A 17 2.257 14.994 7.177 1.00 0.00 C ATOM 287 OH TYR A 17 2.998 13.947 7.684 1.00 0.00 O ATOM 0 H TYR A 17 -2.024 16.779 4.637 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.436 18.002 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.151 18.161 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.366 19.188 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.069 15.653 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.723 18.327 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.274 13.783 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.065 16.456 8.545 1.00 0.00 H new ATOM 0 HH TYR A 17 2.624 13.098 7.368 1.00 0.00 H new ATOM 297 N SER A 18 -2.829 19.605 4.795 1.00 0.00 N ATOM 298 CA SER A 18 -3.528 20.886 4.477 1.00 0.00 C ATOM 299 C SER A 18 -4.638 21.158 5.493 1.00 0.00 C ATOM 300 O SER A 18 -4.807 22.270 5.955 1.00 0.00 O ATOM 301 CB SER A 18 -4.136 20.801 3.077 1.00 0.00 C ATOM 302 OG SER A 18 -5.287 19.971 3.116 1.00 0.00 O ATOM 0 H SER A 18 -2.867 18.895 4.064 1.00 0.00 H new ATOM 0 HA SER A 18 -2.803 21.699 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.403 21.797 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.406 20.398 2.375 1.00 0.00 H new ATOM 0 HG SER A 18 -5.681 19.915 2.220 1.00 0.00 H new ATOM 308 N GLY A 19 -5.401 20.160 5.840 1.00 0.00 N ATOM 309 CA GLY A 19 -6.508 20.371 6.815 1.00 0.00 C ATOM 310 C GLY A 19 -5.944 20.518 8.227 1.00 0.00 C ATOM 311 O GLY A 19 -6.623 20.969 9.128 1.00 0.00 O ATOM 0 H GLY A 19 -5.306 19.206 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.074 21.263 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.201 19.530 6.778 1.00 0.00 H new ATOM 315 N ARG A 20 -4.709 20.150 8.435 1.00 0.00 N ATOM 316 CA ARG A 20 -4.124 20.286 9.797 1.00 0.00 C ATOM 317 C ARG A 20 -4.138 21.760 10.193 1.00 0.00 C ATOM 318 O ARG A 20 -4.464 22.115 11.308 1.00 0.00 O ATOM 319 CB ARG A 20 -2.682 19.788 9.783 1.00 0.00 C ATOM 320 CG ARG A 20 -2.072 19.915 11.179 1.00 0.00 C ATOM 321 CD ARG A 20 -0.636 19.415 11.131 1.00 0.00 C ATOM 322 NE ARG A 20 -0.015 19.544 12.479 1.00 0.00 N ATOM 323 CZ ARG A 20 1.097 18.918 12.748 1.00 0.00 C ATOM 324 NH1 ARG A 20 1.643 18.146 11.850 1.00 0.00 N ATOM 325 NH2 ARG A 20 1.657 19.056 13.919 1.00 0.00 N ATOM 0 H ARG A 20 -4.085 19.764 7.726 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.705 19.699 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.651 18.749 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.096 20.365 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.100 20.953 11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.650 19.335 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.614 18.374 10.808 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.065 19.988 10.400 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.460 20.122 13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.200 18.032 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.513 17.656 12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.225 19.653 14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.527 18.566 14.129 1.00 0.00 H new ATOM 339 N GLU A 21 -3.770 22.617 9.275 1.00 0.00 N ATOM 340 CA GLU A 21 -3.733 24.086 9.559 1.00 0.00 C ATOM 341 C GLU A 21 -4.798 24.792 8.715 1.00 0.00 C ATOM 342 O GLU A 21 -5.250 24.286 7.707 1.00 0.00 O ATOM 343 CB GLU A 21 -2.344 24.631 9.209 1.00 0.00 C ATOM 344 CG GLU A 21 -2.231 26.087 9.668 1.00 0.00 C ATOM 345 CD GLU A 21 -0.812 26.596 9.410 1.00 0.00 C ATOM 346 OE1 GLU A 21 0.038 25.785 9.083 1.00 0.00 O ATOM 347 OE2 GLU A 21 -0.598 27.790 9.546 1.00 0.00 O ATOM 0 H GLU A 21 -3.490 22.359 8.329 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.936 24.266 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.574 24.027 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.177 24.564 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.953 26.705 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.469 26.164 10.729 1.00 0.00 H new ATOM 354 N GLY A 22 -5.221 25.947 9.147 1.00 0.00 N ATOM 355 CA GLY A 22 -6.280 26.699 8.415 1.00 0.00 C ATOM 356 C GLY A 22 -5.943 26.848 6.926 1.00 0.00 C ATOM 357 O GLY A 22 -6.830 26.942 6.101 1.00 0.00 O ATOM 0 H GLY A 22 -4.874 26.409 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.234 26.182 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.400 27.686 8.862 1.00 0.00 H new ATOM 361 N ASP A 23 -4.690 26.890 6.560 1.00 0.00 N ATOM 362 CA ASP A 23 -4.362 27.054 5.119 1.00 0.00 C ATOM 363 C ASP A 23 -4.701 25.766 4.362 1.00 0.00 C ATOM 364 O ASP A 23 -3.869 25.176 3.713 1.00 0.00 O ATOM 365 CB ASP A 23 -2.872 27.370 4.983 1.00 0.00 C ATOM 366 CG ASP A 23 -2.610 28.830 5.367 1.00 0.00 C ATOM 367 OD1 ASP A 23 -3.570 29.565 5.526 1.00 0.00 O ATOM 368 OD2 ASP A 23 -1.451 29.187 5.496 1.00 0.00 O ATOM 0 H ASP A 23 -3.890 26.819 7.189 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.946 27.871 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.291 26.707 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.545 27.190 3.959 1.00 0.00 H new ATOM 373 N LYS A 24 -5.926 25.329 4.442 1.00 0.00 N ATOM 374 CA LYS A 24 -6.332 24.083 3.728 1.00 0.00 C ATOM 375 C LYS A 24 -6.162 24.251 2.212 1.00 0.00 C ATOM 376 O LYS A 24 -5.776 23.330 1.519 1.00 0.00 O ATOM 377 CB LYS A 24 -7.795 23.763 4.045 1.00 0.00 C ATOM 378 CG LYS A 24 -8.200 22.484 3.308 1.00 0.00 C ATOM 379 CD LYS A 24 -9.567 22.007 3.809 1.00 0.00 C ATOM 380 CE LYS A 24 -10.627 23.085 3.556 1.00 0.00 C ATOM 381 NZ LYS A 24 -11.973 22.447 3.499 1.00 0.00 N ATOM 0 H LYS A 24 -6.669 25.783 4.974 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.695 23.265 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.928 23.636 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.435 24.591 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.240 22.669 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.452 21.708 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.847 21.084 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.514 21.781 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.599 23.832 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.418 23.605 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.695 23.175 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.994 21.750 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.170 21.970 4.402 1.00 0.00 H new ATOM 395 N HIS A 25 -6.481 25.402 1.685 1.00 0.00 N ATOM 396 CA HIS A 25 -6.376 25.607 0.208 1.00 0.00 C ATOM 397 C HIS A 25 -4.926 25.859 -0.231 1.00 0.00 C ATOM 398 O HIS A 25 -4.632 25.863 -1.409 1.00 0.00 O ATOM 399 CB HIS A 25 -7.235 26.808 -0.191 1.00 0.00 C ATOM 400 CG HIS A 25 -6.827 28.005 0.622 1.00 0.00 C ATOM 401 ND1 HIS A 25 -7.073 28.090 1.986 1.00 0.00 N ATOM 402 CD2 HIS A 25 -6.190 29.174 0.282 1.00 0.00 C ATOM 403 CE1 HIS A 25 -6.590 29.272 2.412 1.00 0.00 C ATOM 404 NE2 HIS A 25 -6.044 29.968 1.414 1.00 0.00 N ATOM 0 H HIS A 25 -6.810 26.211 2.212 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.725 24.700 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.115 27.018 -1.254 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.289 26.586 -0.027 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.855 29.436 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.639 29.614 3.435 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.610 30.890 1.469 1.00 0.00 H new ATOM 413 N LYS A 26 -4.013 26.068 0.684 1.00 0.00 N ATOM 414 CA LYS A 26 -2.593 26.315 0.270 1.00 0.00 C ATOM 415 C LYS A 26 -1.633 25.731 1.306 1.00 0.00 C ATOM 416 O LYS A 26 -1.971 25.538 2.453 1.00 0.00 O ATOM 417 CB LYS A 26 -2.352 27.823 0.130 1.00 0.00 C ATOM 418 CG LYS A 26 -2.424 28.493 1.503 1.00 0.00 C ATOM 419 CD LYS A 26 -2.417 30.013 1.330 1.00 0.00 C ATOM 420 CE LYS A 26 -2.345 30.679 2.705 1.00 0.00 C ATOM 421 NZ LYS A 26 -2.227 32.155 2.540 1.00 0.00 N ATOM 0 H LYS A 26 -4.184 26.079 1.690 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.413 25.830 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.376 28.004 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.097 28.259 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.328 28.180 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.578 28.182 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.566 30.317 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.316 30.335 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.236 30.438 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.490 30.296 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.178 32.606 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.364 32.376 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.056 32.514 2.025 1.00 0.00 H new ATOM 435 N LEU A 27 -0.432 25.444 0.892 1.00 0.00 N ATOM 436 CA LEU A 27 0.591 24.866 1.817 1.00 0.00 C ATOM 437 C LEU A 27 1.655 25.929 2.093 1.00 0.00 C ATOM 438 O LEU A 27 2.328 26.382 1.196 1.00 0.00 O ATOM 439 CB LEU A 27 1.247 23.649 1.126 1.00 0.00 C ATOM 440 CG LEU A 27 0.477 22.348 1.430 1.00 0.00 C ATOM 441 CD1 LEU A 27 0.652 21.936 2.904 1.00 0.00 C ATOM 442 CD2 LEU A 27 -1.013 22.529 1.118 1.00 0.00 C ATOM 0 H LEU A 27 -0.107 25.587 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 27 0.129 24.554 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.277 23.813 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.279 23.550 1.462 1.00 0.00 H new ATOM 0 HG LEU A 27 0.885 21.559 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.099 21.016 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.709 21.774 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.271 22.727 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.546 21.603 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.418 23.334 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.136 22.778 0.064 1.00 0.00 H new ATOM 454 N LYS A 28 1.828 26.328 3.325 1.00 0.00 N ATOM 455 CA LYS A 28 2.865 27.350 3.630 1.00 0.00 C ATOM 456 C LYS A 28 4.178 26.628 3.936 1.00 0.00 C ATOM 457 O LYS A 28 4.173 25.509 4.408 1.00 0.00 O ATOM 458 CB LYS A 28 2.419 28.174 4.843 1.00 0.00 C ATOM 459 CG LYS A 28 3.429 29.289 5.111 1.00 0.00 C ATOM 460 CD LYS A 28 2.983 30.110 6.323 1.00 0.00 C ATOM 461 CE LYS A 28 3.998 31.225 6.587 1.00 0.00 C ATOM 462 NZ LYS A 28 3.436 32.186 7.580 1.00 0.00 N ATOM 0 H LYS A 28 1.298 25.991 4.128 1.00 0.00 H new ATOM 0 HA LYS A 28 3.005 28.020 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.432 28.600 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.332 27.531 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.416 28.863 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.515 29.933 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.996 30.537 6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.897 29.467 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.930 30.802 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.235 31.743 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.126 32.943 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.558 32.599 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.232 31.687 8.469 1.00 0.00 H new ATOM 476 N LYS A 29 5.303 27.246 3.661 1.00 0.00 N ATOM 477 CA LYS A 29 6.614 26.582 3.929 1.00 0.00 C ATOM 478 C LYS A 29 6.558 25.910 5.299 1.00 0.00 C ATOM 479 O LYS A 29 7.273 24.969 5.581 1.00 0.00 O ATOM 480 CB LYS A 29 7.738 27.629 3.906 1.00 0.00 C ATOM 481 CG LYS A 29 7.679 28.528 5.145 1.00 0.00 C ATOM 482 CD LYS A 29 8.643 29.701 4.956 1.00 0.00 C ATOM 483 CE LYS A 29 8.783 30.465 6.272 1.00 0.00 C ATOM 484 NZ LYS A 29 9.537 29.627 7.246 1.00 0.00 N ATOM 0 H LYS A 29 5.367 28.183 3.262 1.00 0.00 H new ATOM 0 HA LYS A 29 6.813 25.834 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.705 27.128 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.653 28.238 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.664 28.895 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.948 27.960 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.617 29.336 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.274 30.366 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.304 31.408 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.799 30.711 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.985 30.239 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.883 28.969 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.270 29.086 6.744 1.00 0.00 H new ATOM 498 N SER A 30 5.689 26.387 6.140 1.00 0.00 N ATOM 499 CA SER A 30 5.550 25.777 7.496 1.00 0.00 C ATOM 500 C SER A 30 4.797 24.454 7.366 1.00 0.00 C ATOM 501 O SER A 30 5.208 23.435 7.884 1.00 0.00 O ATOM 502 CB SER A 30 4.774 26.721 8.417 1.00 0.00 C ATOM 503 OG SER A 30 4.577 26.088 9.676 1.00 0.00 O ATOM 0 H SER A 30 5.067 27.173 5.951 1.00 0.00 H new ATOM 0 HA SER A 30 6.538 25.603 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.323 27.654 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.813 26.976 7.970 1.00 0.00 H new ATOM 0 HG SER A 30 4.082 26.689 10.270 1.00 0.00 H new ATOM 509 N GLU A 31 3.700 24.467 6.660 1.00 0.00 N ATOM 510 CA GLU A 31 2.914 23.219 6.467 1.00 0.00 C ATOM 511 C GLU A 31 3.752 22.251 5.637 1.00 0.00 C ATOM 512 O GLU A 31 3.743 21.058 5.850 1.00 0.00 O ATOM 513 CB GLU A 31 1.622 23.543 5.717 1.00 0.00 C ATOM 514 CG GLU A 31 0.776 24.504 6.549 1.00 0.00 C ATOM 515 CD GLU A 31 -0.424 24.958 5.720 1.00 0.00 C ATOM 516 OE1 GLU A 31 -0.253 25.857 4.913 1.00 0.00 O ATOM 517 OE2 GLU A 31 -1.493 24.399 5.903 1.00 0.00 O ATOM 0 H GLU A 31 3.313 25.295 6.206 1.00 0.00 H new ATOM 0 HA GLU A 31 2.666 22.775 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.853 23.989 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.064 22.628 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.439 24.014 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.372 25.365 6.851 1.00 0.00 H new ATOM 524 N LEU A 32 4.469 22.774 4.683 1.00 0.00 N ATOM 525 CA LEU A 32 5.320 21.923 3.807 1.00 0.00 C ATOM 526 C LEU A 32 6.353 21.178 4.649 1.00 0.00 C ATOM 527 O LEU A 32 6.634 20.028 4.414 1.00 0.00 O ATOM 528 CB LEU A 32 6.031 22.829 2.799 1.00 0.00 C ATOM 529 CG LEU A 32 6.933 22.012 1.867 1.00 0.00 C ATOM 530 CD1 LEU A 32 6.110 20.957 1.111 1.00 0.00 C ATOM 531 CD2 LEU A 32 7.591 22.971 0.867 1.00 0.00 C ATOM 0 H LEU A 32 4.502 23.771 4.470 1.00 0.00 H new ATOM 0 HA LEU A 32 4.703 21.191 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.293 23.374 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.627 23.571 3.329 1.00 0.00 H new ATOM 0 HG LEU A 32 7.693 21.496 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.766 20.386 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.637 20.284 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.342 21.452 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.238 22.408 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.819 23.479 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.184 23.709 1.407 1.00 0.00 H new ATOM 543 N LYS A 33 6.922 21.825 5.623 1.00 0.00 N ATOM 544 CA LYS A 33 7.939 21.143 6.481 1.00 0.00 C ATOM 545 C LYS A 33 7.315 19.930 7.172 1.00 0.00 C ATOM 546 O LYS A 33 7.939 18.899 7.323 1.00 0.00 O ATOM 547 CB LYS A 33 8.450 22.121 7.544 1.00 0.00 C ATOM 548 CG LYS A 33 9.520 21.445 8.412 1.00 0.00 C ATOM 549 CD LYS A 33 10.018 22.433 9.466 1.00 0.00 C ATOM 550 CE LYS A 33 11.179 21.806 10.240 1.00 0.00 C ATOM 551 NZ LYS A 33 11.611 22.728 11.328 1.00 0.00 N ATOM 0 H LYS A 33 6.730 22.797 5.866 1.00 0.00 H new ATOM 0 HA LYS A 33 8.767 20.813 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.866 23.007 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.622 22.456 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.106 20.560 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.350 21.111 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.342 23.358 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.209 22.692 10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.873 20.848 10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.012 21.606 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.625 22.935 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.069 23.614 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.441 22.280 12.251 1.00 0.00 H new ATOM 565 N GLU A 34 6.102 20.056 7.622 1.00 0.00 N ATOM 566 CA GLU A 34 5.450 18.930 8.335 1.00 0.00 C ATOM 567 C GLU A 34 5.155 17.804 7.355 1.00 0.00 C ATOM 568 O GLU A 34 5.256 16.649 7.683 1.00 0.00 O ATOM 569 CB GLU A 34 4.156 19.426 8.980 1.00 0.00 C ATOM 570 CG GLU A 34 4.498 20.375 10.132 1.00 0.00 C ATOM 571 CD GLU A 34 3.208 20.896 10.766 1.00 0.00 C ATOM 572 OE1 GLU A 34 2.157 20.651 10.202 1.00 0.00 O ATOM 573 OE2 GLU A 34 3.295 21.532 11.803 1.00 0.00 O ATOM 0 H GLU A 34 5.531 20.896 7.526 1.00 0.00 H new ATOM 0 HA GLU A 34 6.114 18.550 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.541 19.939 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.573 18.582 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.098 19.855 10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.097 21.208 9.765 1.00 0.00 H new ATOM 580 N LEU A 35 4.787 18.121 6.155 1.00 0.00 N ATOM 581 CA LEU A 35 4.507 17.042 5.180 1.00 0.00 C ATOM 582 C LEU A 35 5.787 16.249 4.948 1.00 0.00 C ATOM 583 O LEU A 35 5.803 15.041 4.990 1.00 0.00 O ATOM 584 CB LEU A 35 4.041 17.654 3.854 1.00 0.00 C ATOM 585 CG LEU A 35 3.742 16.535 2.816 1.00 0.00 C ATOM 586 CD1 LEU A 35 2.574 16.958 1.919 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.970 16.260 1.924 1.00 0.00 C ATOM 0 H LEU A 35 4.668 19.072 5.807 1.00 0.00 H new ATOM 0 HA LEU A 35 3.726 16.388 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.147 18.255 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.808 18.324 3.466 1.00 0.00 H new ATOM 0 HG LEU A 35 3.491 15.628 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.369 16.171 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.688 17.128 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.833 17.877 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.731 15.473 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.241 17.169 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.807 15.943 2.545 1.00 0.00 H new ATOM 599 N ILE A 36 6.858 16.928 4.673 1.00 0.00 N ATOM 600 CA ILE A 36 8.135 16.223 4.391 1.00 0.00 C ATOM 601 C ILE A 36 8.713 15.605 5.661 1.00 0.00 C ATOM 602 O ILE A 36 9.111 14.457 5.677 1.00 0.00 O ATOM 603 CB ILE A 36 9.146 17.222 3.814 1.00 0.00 C ATOM 604 CG1 ILE A 36 8.525 17.943 2.616 1.00 0.00 C ATOM 605 CG2 ILE A 36 10.406 16.482 3.344 1.00 0.00 C ATOM 606 CD1 ILE A 36 9.494 19.014 2.111 1.00 0.00 C ATOM 0 H ILE A 36 6.906 17.946 4.631 1.00 0.00 H new ATOM 0 HA ILE A 36 7.938 15.425 3.676 1.00 0.00 H new ATOM 0 HB ILE A 36 9.411 17.941 4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.307 17.230 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.578 18.400 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.118 17.199 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.858 15.962 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.137 15.759 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.054 19.529 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.689 19.732 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.430 18.544 1.808 1.00 0.00 H new ATOM 618 N ASN A 37 8.807 16.365 6.710 1.00 0.00 N ATOM 619 CA ASN A 37 9.413 15.825 7.958 1.00 0.00 C ATOM 620 C ASN A 37 8.626 14.629 8.499 1.00 0.00 C ATOM 621 O ASN A 37 9.193 13.691 9.018 1.00 0.00 O ATOM 622 CB ASN A 37 9.452 16.926 9.018 1.00 0.00 C ATOM 623 CG ASN A 37 10.077 16.372 10.299 1.00 0.00 C ATOM 624 OD1 ASN A 37 9.384 16.083 11.253 1.00 0.00 O ATOM 625 ND2 ASN A 37 11.371 16.214 10.360 1.00 0.00 N ATOM 0 H ASN A 37 8.492 17.334 6.760 1.00 0.00 H new ATOM 0 HA ASN A 37 10.422 15.486 7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.031 17.776 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.444 17.289 9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.801 15.848 11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.953 16.457 9.558 1.00 0.00 H new ATOM 632 N ASN A 38 7.327 14.685 8.442 1.00 0.00 N ATOM 633 CA ASN A 38 6.484 13.582 9.018 1.00 0.00 C ATOM 634 C ASN A 38 5.990 12.583 7.964 1.00 0.00 C ATOM 635 O ASN A 38 5.853 11.410 8.253 1.00 0.00 O ATOM 636 CB ASN A 38 5.272 14.202 9.716 1.00 0.00 C ATOM 637 CG ASN A 38 5.756 15.091 10.856 1.00 0.00 C ATOM 638 OD1 ASN A 38 4.975 15.539 11.673 1.00 0.00 O ATOM 639 ND2 ASN A 38 7.025 15.372 10.939 1.00 0.00 N ATOM 0 H ASN A 38 6.801 15.450 8.020 1.00 0.00 H new ATOM 0 HA ASN A 38 7.112 13.028 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.687 14.786 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.618 13.419 10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.367 15.970 11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.677 14.994 10.252 1.00 0.00 H new ATOM 646 N GLU A 39 5.687 13.009 6.761 1.00 0.00 N ATOM 647 CA GLU A 39 5.169 12.032 5.751 1.00 0.00 C ATOM 648 C GLU A 39 6.334 11.467 4.942 1.00 0.00 C ATOM 649 O GLU A 39 6.232 10.402 4.367 1.00 0.00 O ATOM 650 CB GLU A 39 4.175 12.737 4.807 1.00 0.00 C ATOM 651 CG GLU A 39 3.297 11.699 4.108 1.00 0.00 C ATOM 652 CD GLU A 39 2.436 12.400 3.057 1.00 0.00 C ATOM 653 OE1 GLU A 39 1.723 13.321 3.421 1.00 0.00 O ATOM 654 OE2 GLU A 39 2.509 12.008 1.906 1.00 0.00 O ATOM 0 H GLU A 39 5.774 13.973 6.438 1.00 0.00 H new ATOM 0 HA GLU A 39 4.658 11.218 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.553 13.431 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.717 13.325 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.918 10.936 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.664 11.191 4.835 1.00 0.00 H new ATOM 661 N LEU A 40 7.445 12.167 4.905 1.00 0.00 N ATOM 662 CA LEU A 40 8.635 11.678 4.131 1.00 0.00 C ATOM 663 C LEU A 40 9.832 11.512 5.072 1.00 0.00 C ATOM 664 O LEU A 40 10.959 11.784 4.709 1.00 0.00 O ATOM 665 CB LEU A 40 8.985 12.688 3.031 1.00 0.00 C ATOM 666 CG LEU A 40 7.741 12.974 2.174 1.00 0.00 C ATOM 667 CD1 LEU A 40 8.101 13.953 1.052 1.00 0.00 C ATOM 668 CD2 LEU A 40 7.209 11.665 1.563 1.00 0.00 C ATOM 0 H LEU A 40 7.580 13.060 5.379 1.00 0.00 H new ATOM 0 HA LEU A 40 8.396 10.716 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.352 13.613 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.787 12.296 2.406 1.00 0.00 H new ATOM 0 HG LEU A 40 6.969 13.413 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.217 14.153 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.463 14.885 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.879 13.518 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.328 11.878 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.980 11.216 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.942 10.973 2.362 1.00 0.00 H new ATOM 680 N SER A 41 9.598 11.081 6.283 1.00 0.00 N ATOM 681 CA SER A 41 10.726 10.912 7.245 1.00 0.00 C ATOM 682 C SER A 41 11.652 9.782 6.786 1.00 0.00 C ATOM 683 O SER A 41 12.763 10.013 6.353 1.00 0.00 O ATOM 684 CB SER A 41 10.164 10.563 8.623 1.00 0.00 C ATOM 685 OG SER A 41 9.305 9.436 8.507 1.00 0.00 O ATOM 0 H SER A 41 8.676 10.839 6.647 1.00 0.00 H new ATOM 0 HA SER A 41 11.292 11.842 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.977 10.346 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.616 11.412 9.031 1.00 0.00 H new ATOM 0 HG SER A 41 9.704 8.671 8.972 1.00 0.00 H new ATOM 691 N HIS A 42 11.203 8.563 6.888 1.00 0.00 N ATOM 692 CA HIS A 42 12.050 7.407 6.471 1.00 0.00 C ATOM 693 C HIS A 42 11.988 7.234 4.952 1.00 0.00 C ATOM 694 O HIS A 42 12.801 6.554 4.357 1.00 0.00 O ATOM 695 CB HIS A 42 11.537 6.138 7.152 1.00 0.00 C ATOM 696 CG HIS A 42 12.400 4.971 6.763 1.00 0.00 C ATOM 697 ND1 HIS A 42 13.757 4.925 7.053 1.00 0.00 N ATOM 698 CD2 HIS A 42 12.116 3.798 6.109 1.00 0.00 C ATOM 699 CE1 HIS A 42 14.233 3.759 6.579 1.00 0.00 C ATOM 700 NE2 HIS A 42 13.274 3.038 5.996 1.00 0.00 N ATOM 0 H HIS A 42 10.280 8.314 7.244 1.00 0.00 H new ATOM 0 HA HIS A 42 13.083 7.592 6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.547 6.265 8.235 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.503 5.951 6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.143 3.510 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.263 3.446 6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 42 13.370 2.121 5.559 1.00 0.00 H new ATOM 709 N PHE A 43 11.019 7.834 4.329 1.00 0.00 N ATOM 710 CA PHE A 43 10.870 7.706 2.853 1.00 0.00 C ATOM 711 C PHE A 43 12.137 8.248 2.164 1.00 0.00 C ATOM 712 O PHE A 43 12.681 7.639 1.264 1.00 0.00 O ATOM 713 CB PHE A 43 9.643 8.542 2.445 1.00 0.00 C ATOM 714 CG PHE A 43 8.961 8.025 1.187 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.658 7.294 0.209 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.600 8.308 1.000 1.00 0.00 C ATOM 717 CE1 PHE A 43 8.992 6.854 -0.942 1.00 0.00 C ATOM 718 CE2 PHE A 43 6.940 7.865 -0.149 1.00 0.00 C ATOM 719 CZ PHE A 43 7.635 7.139 -1.120 1.00 0.00 C ATOM 0 H PHE A 43 10.314 8.415 4.782 1.00 0.00 H new ATOM 0 HA PHE A 43 10.737 6.665 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.925 8.547 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.951 9.575 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.706 7.072 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.060 8.871 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.528 6.293 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.891 8.084 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.124 6.798 -2.008 1.00 0.00 H new ATOM 729 N LEU A 44 12.617 9.390 2.579 1.00 0.00 N ATOM 730 CA LEU A 44 13.837 9.954 1.929 1.00 0.00 C ATOM 731 C LEU A 44 14.487 11.005 2.828 1.00 0.00 C ATOM 732 O LEU A 44 14.321 11.002 4.032 1.00 0.00 O ATOM 733 CB LEU A 44 13.441 10.580 0.580 1.00 0.00 C ATOM 734 CG LEU A 44 12.173 11.476 0.736 1.00 0.00 C ATOM 735 CD1 LEU A 44 12.454 12.900 0.236 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.009 10.894 -0.081 1.00 0.00 C ATOM 0 H LEU A 44 12.222 9.953 3.333 1.00 0.00 H new ATOM 0 HA LEU A 44 14.560 9.155 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.268 11.176 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.248 9.793 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 44 11.910 11.504 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.558 13.510 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.268 13.335 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.736 12.867 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.130 11.528 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.289 10.852 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.782 9.889 0.275 1.00 0.00 H new ATOM 748 N GLU A 45 15.253 11.886 2.247 1.00 0.00 N ATOM 749 CA GLU A 45 15.955 12.921 3.035 1.00 0.00 C ATOM 750 C GLU A 45 14.995 13.648 3.971 1.00 0.00 C ATOM 751 O GLU A 45 14.389 14.641 3.619 1.00 0.00 O ATOM 752 CB GLU A 45 16.575 13.936 2.073 1.00 0.00 C ATOM 753 CG GLU A 45 17.227 15.094 2.868 1.00 0.00 C ATOM 754 CD GLU A 45 16.294 16.312 2.941 1.00 0.00 C ATOM 755 OE1 GLU A 45 15.539 16.525 2.007 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.356 17.014 3.937 1.00 0.00 O ATOM 0 H GLU A 45 15.421 11.928 1.242 1.00 0.00 H new ATOM 0 HA GLU A 45 16.724 12.437 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.323 13.447 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.809 14.330 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.468 14.756 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.166 15.380 2.395 1.00 0.00 H new ATOM 763 N GLU A 46 14.892 13.176 5.176 1.00 0.00 N ATOM 764 CA GLU A 46 14.018 13.852 6.176 1.00 0.00 C ATOM 765 C GLU A 46 14.583 15.253 6.418 1.00 0.00 C ATOM 766 O GLU A 46 15.773 15.471 6.317 1.00 0.00 O ATOM 767 CB GLU A 46 14.018 13.049 7.483 1.00 0.00 C ATOM 768 CG GLU A 46 13.127 13.738 8.522 1.00 0.00 C ATOM 769 CD GLU A 46 13.116 12.909 9.808 1.00 0.00 C ATOM 770 OE1 GLU A 46 13.617 11.797 9.777 1.00 0.00 O ATOM 771 OE2 GLU A 46 12.605 13.399 10.802 1.00 0.00 O ATOM 0 H GLU A 46 15.377 12.346 5.517 1.00 0.00 H new ATOM 0 HA GLU A 46 12.993 13.918 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.658 12.037 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.035 12.961 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.497 14.743 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.113 13.844 8.136 1.00 0.00 H new ATOM 778 N ILE A 47 13.751 16.215 6.709 1.00 0.00 N ATOM 779 CA ILE A 47 14.271 17.599 6.925 1.00 0.00 C ATOM 780 C ILE A 47 14.692 17.773 8.388 1.00 0.00 C ATOM 781 O ILE A 47 14.000 17.350 9.293 1.00 0.00 O ATOM 782 CB ILE A 47 13.169 18.616 6.612 1.00 0.00 C ATOM 783 CG1 ILE A 47 12.537 18.277 5.247 1.00 0.00 C ATOM 784 CG2 ILE A 47 13.753 20.057 6.600 1.00 0.00 C ATOM 785 CD1 ILE A 47 13.599 18.269 4.136 1.00 0.00 C ATOM 0 H ILE A 47 12.741 16.107 6.806 1.00 0.00 H new ATOM 0 HA ILE A 47 15.128 17.760 6.270 1.00 0.00 H new ATOM 0 HB ILE A 47 12.401 18.568 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.052 17.302 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.762 19.006 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.959 20.770 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.180 20.285 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.530 20.128 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.127 18.027 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.065 19.252 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.359 17.522 4.365 1.00 0.00 H new ATOM 797 N LYS A 48 15.820 18.399 8.626 1.00 0.00 N ATOM 798 CA LYS A 48 16.295 18.616 10.032 1.00 0.00 C ATOM 799 C LYS A 48 16.187 20.108 10.365 1.00 0.00 C ATOM 800 O LYS A 48 16.080 20.492 11.512 1.00 0.00 O ATOM 801 CB LYS A 48 17.762 18.169 10.160 1.00 0.00 C ATOM 802 CG LYS A 48 17.998 16.854 9.396 1.00 0.00 C ATOM 803 CD LYS A 48 17.257 15.693 10.066 1.00 0.00 C ATOM 804 CE LYS A 48 17.351 14.467 9.161 1.00 0.00 C ATOM 805 NZ LYS A 48 16.703 13.302 9.827 1.00 0.00 N ATOM 0 H LYS A 48 16.436 18.771 7.903 1.00 0.00 H new ATOM 0 HA LYS A 48 15.683 18.034 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.420 18.946 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.016 18.035 11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.659 16.961 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.065 16.637 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.694 15.478 11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.214 15.958 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.865 14.669 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.395 14.241 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.723 12.482 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.216 13.072 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.716 13.538 10.056 1.00 0.00 H new ATOM 819 N GLU A 49 16.214 20.947 9.360 1.00 0.00 N ATOM 820 CA GLU A 49 16.113 22.424 9.583 1.00 0.00 C ATOM 821 C GLU A 49 15.037 23.003 8.664 1.00 0.00 C ATOM 822 O GLU A 49 14.874 22.573 7.540 1.00 0.00 O ATOM 823 CB GLU A 49 17.456 23.076 9.254 1.00 0.00 C ATOM 824 CG GLU A 49 18.461 22.769 10.362 1.00 0.00 C ATOM 825 CD GLU A 49 19.816 23.384 10.007 1.00 0.00 C ATOM 826 OE1 GLU A 49 20.544 22.766 9.248 1.00 0.00 O ATOM 827 OE2 GLU A 49 20.101 24.464 10.498 1.00 0.00 O ATOM 0 H GLU A 49 16.303 20.669 8.383 1.00 0.00 H new ATOM 0 HA GLU A 49 15.852 22.619 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.828 22.704 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 49 17.332 24.154 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.105 23.170 11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.561 21.691 10.488 1.00 0.00 H new ATOM 834 N GLN A 50 14.313 23.987 9.121 1.00 0.00 N ATOM 835 CA GLN A 50 13.269 24.593 8.252 1.00 0.00 C ATOM 836 C GLN A 50 13.963 25.330 7.112 1.00 0.00 C ATOM 837 O GLN A 50 13.370 25.616 6.098 1.00 0.00 O ATOM 838 CB GLN A 50 12.408 25.578 9.054 1.00 0.00 C ATOM 839 CG GLN A 50 13.293 26.633 9.729 1.00 0.00 C ATOM 840 CD GLN A 50 13.701 27.709 8.716 1.00 0.00 C ATOM 841 OE1 GLN A 50 14.811 28.202 8.756 1.00 0.00 O ATOM 842 NE2 GLN A 50 12.850 28.097 7.803 1.00 0.00 N ATOM 0 H GLN A 50 14.399 24.395 10.052 1.00 0.00 H new ATOM 0 HA GLN A 50 12.619 23.810 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.690 26.065 8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.834 25.039 9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.756 27.091 10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.182 26.160 10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.918 27.685 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.118 28.812 7.127 1.00 0.00 H new ATOM 851 N GLU A 51 15.222 25.638 7.277 1.00 0.00 N ATOM 852 CA GLU A 51 15.969 26.355 6.202 1.00 0.00 C ATOM 853 C GLU A 51 15.983 25.516 4.925 1.00 0.00 C ATOM 854 O GLU A 51 15.849 26.036 3.841 1.00 0.00 O ATOM 855 CB GLU A 51 17.406 26.629 6.676 1.00 0.00 C ATOM 856 CG GLU A 51 18.228 25.322 6.684 1.00 0.00 C ATOM 857 CD GLU A 51 18.928 25.124 5.332 1.00 0.00 C ATOM 858 OE1 GLU A 51 18.507 25.743 4.369 1.00 0.00 O ATOM 859 OE2 GLU A 51 19.886 24.369 5.290 1.00 0.00 O ATOM 0 H GLU A 51 15.767 25.423 8.112 1.00 0.00 H new ATOM 0 HA GLU A 51 15.476 27.303 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.879 27.360 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.390 27.062 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.969 25.355 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.574 24.475 6.890 1.00 0.00 H new ATOM 866 N VAL A 52 16.148 24.227 5.039 1.00 0.00 N ATOM 867 CA VAL A 52 16.167 23.374 3.825 1.00 0.00 C ATOM 868 C VAL A 52 14.838 23.518 3.128 1.00 0.00 C ATOM 869 O VAL A 52 14.758 23.584 1.924 1.00 0.00 O ATOM 870 CB VAL A 52 16.380 21.917 4.225 1.00 0.00 C ATOM 871 CG1 VAL A 52 16.381 21.035 2.976 1.00 0.00 C ATOM 872 CG2 VAL A 52 17.710 21.776 4.963 1.00 0.00 C ATOM 0 H VAL A 52 16.270 23.731 5.922 1.00 0.00 H new ATOM 0 HA VAL A 52 16.977 23.679 3.162 1.00 0.00 H new ATOM 0 HB VAL A 52 15.571 21.601 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.533 19.995 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.425 21.132 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.185 21.348 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.860 20.734 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.523 22.094 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.697 22.398 5.858 1.00 0.00 H new ATOM 882 N VAL A 53 13.795 23.568 3.886 1.00 0.00 N ATOM 883 CA VAL A 53 12.456 23.716 3.290 1.00 0.00 C ATOM 884 C VAL A 53 12.391 25.037 2.548 1.00 0.00 C ATOM 885 O VAL A 53 11.834 25.117 1.489 1.00 0.00 O ATOM 886 CB VAL A 53 11.415 23.678 4.402 1.00 0.00 C ATOM 887 CG1 VAL A 53 10.012 23.772 3.800 1.00 0.00 C ATOM 888 CG2 VAL A 53 11.573 22.368 5.180 1.00 0.00 C ATOM 0 H VAL A 53 13.813 23.512 4.904 1.00 0.00 H new ATOM 0 HA VAL A 53 12.257 22.906 2.589 1.00 0.00 H new ATOM 0 HB VAL A 53 11.559 24.522 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.271 23.744 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.915 24.706 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.849 22.932 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.833 22.328 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.425 21.524 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.574 22.318 5.609 1.00 0.00 H new ATOM 898 N ASP A 54 12.962 26.069 3.098 1.00 0.00 N ATOM 899 CA ASP A 54 12.940 27.392 2.416 1.00 0.00 C ATOM 900 C ASP A 54 13.641 27.273 1.064 1.00 0.00 C ATOM 901 O ASP A 54 13.218 27.836 0.079 1.00 0.00 O ATOM 902 CB ASP A 54 13.648 28.432 3.291 1.00 0.00 C ATOM 903 CG ASP A 54 13.632 29.800 2.602 1.00 0.00 C ATOM 904 OD1 ASP A 54 13.453 29.839 1.397 1.00 0.00 O ATOM 905 OD2 ASP A 54 13.799 30.789 3.297 1.00 0.00 O ATOM 0 H ASP A 54 13.446 26.054 3.996 1.00 0.00 H new ATOM 0 HA ASP A 54 11.909 27.709 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.155 28.499 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.676 28.122 3.477 1.00 0.00 H new ATOM 910 N LYS A 55 14.716 26.544 1.021 1.00 0.00 N ATOM 911 CA LYS A 55 15.467 26.369 -0.257 1.00 0.00 C ATOM 912 C LYS A 55 14.550 25.681 -1.253 1.00 0.00 C ATOM 913 O LYS A 55 14.492 26.018 -2.422 1.00 0.00 O ATOM 914 CB LYS A 55 16.697 25.494 -0.001 1.00 0.00 C ATOM 915 CG LYS A 55 17.492 25.309 -1.301 1.00 0.00 C ATOM 916 CD LYS A 55 18.754 24.476 -1.026 1.00 0.00 C ATOM 917 CE LYS A 55 19.793 25.308 -0.259 1.00 0.00 C ATOM 918 NZ LYS A 55 21.134 24.675 -0.398 1.00 0.00 N ATOM 0 H LYS A 55 15.114 26.055 1.823 1.00 0.00 H new ATOM 0 HA LYS A 55 15.790 27.334 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.329 25.954 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.388 24.523 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.873 24.813 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.769 26.281 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.492 23.589 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.180 24.130 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.817 26.326 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.517 25.374 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.839 25.237 0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.105 23.711 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.396 24.634 -1.404 1.00 0.00 H new ATOM 932 N VAL A 56 13.812 24.730 -0.773 1.00 0.00 N ATOM 933 CA VAL A 56 12.860 24.003 -1.642 1.00 0.00 C ATOM 934 C VAL A 56 11.769 24.979 -2.064 1.00 0.00 C ATOM 935 O VAL A 56 11.208 24.884 -3.136 1.00 0.00 O ATOM 936 CB VAL A 56 12.259 22.835 -0.852 1.00 0.00 C ATOM 937 CG1 VAL A 56 11.014 22.296 -1.563 1.00 0.00 C ATOM 938 CG2 VAL A 56 13.303 21.722 -0.739 1.00 0.00 C ATOM 0 H VAL A 56 13.828 24.421 0.199 1.00 0.00 H new ATOM 0 HA VAL A 56 13.358 23.607 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 56 11.972 23.183 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.598 21.467 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.271 23.089 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.286 21.948 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.885 20.886 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.585 21.385 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.184 22.101 -0.222 1.00 0.00 H new ATOM 948 N MET A 57 11.465 25.917 -1.219 1.00 0.00 N ATOM 949 CA MET A 57 10.405 26.900 -1.562 1.00 0.00 C ATOM 950 C MET A 57 10.896 27.821 -2.671 1.00 0.00 C ATOM 951 O MET A 57 10.141 28.248 -3.503 1.00 0.00 O ATOM 952 CB MET A 57 10.003 27.692 -0.320 1.00 0.00 C ATOM 953 CG MET A 57 9.249 26.756 0.630 1.00 0.00 C ATOM 954 SD MET A 57 7.623 26.357 -0.059 1.00 0.00 S ATOM 955 CE MET A 57 6.746 27.842 0.484 1.00 0.00 C ATOM 0 H MET A 57 11.903 26.047 -0.307 1.00 0.00 H new ATOM 0 HA MET A 57 9.522 26.372 -1.923 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.886 28.100 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.374 28.538 -0.597 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.822 25.842 0.785 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.134 27.229 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.073 27.588 1.303 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.466 28.586 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.169 28.248 -0.347 1.00 0.00 H new ATOM 965 N GLU A 58 12.157 28.107 -2.735 1.00 0.00 N ATOM 966 CA GLU A 58 12.627 28.976 -3.841 1.00 0.00 C ATOM 967 C GLU A 58 12.252 28.261 -5.138 1.00 0.00 C ATOM 968 O GLU A 58 11.818 28.864 -6.100 1.00 0.00 O ATOM 969 CB GLU A 58 14.147 29.157 -3.753 1.00 0.00 C ATOM 970 CG GLU A 58 14.625 30.102 -4.861 1.00 0.00 C ATOM 971 CD GLU A 58 14.110 31.516 -4.585 1.00 0.00 C ATOM 972 OE1 GLU A 58 13.685 31.764 -3.468 1.00 0.00 O ATOM 973 OE2 GLU A 58 14.151 32.329 -5.494 1.00 0.00 O ATOM 0 H GLU A 58 12.873 27.785 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 58 12.173 29.966 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.418 29.560 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.643 28.191 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.714 30.103 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.265 29.755 -5.830 1.00 0.00 H new ATOM 980 N THR A 59 12.410 26.967 -5.150 1.00 0.00 N ATOM 981 CA THR A 59 12.060 26.167 -6.356 1.00 0.00 C ATOM 982 C THR A 59 10.541 25.925 -6.439 1.00 0.00 C ATOM 983 O THR A 59 9.949 26.058 -7.492 1.00 0.00 O ATOM 984 CB THR A 59 12.786 24.819 -6.265 1.00 0.00 C ATOM 985 OG1 THR A 59 14.173 25.051 -6.068 1.00 0.00 O ATOM 986 CG2 THR A 59 12.590 23.995 -7.547 1.00 0.00 C ATOM 0 H THR A 59 12.771 26.424 -4.366 1.00 0.00 H new ATOM 0 HA THR A 59 12.364 26.713 -7.249 1.00 0.00 H new ATOM 0 HB THR A 59 12.369 24.258 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.643 24.193 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.116 23.045 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.527 23.808 -7.700 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.988 24.547 -8.399 1.00 0.00 H new ATOM 994 N LEU A 60 9.905 25.534 -5.357 1.00 0.00 N ATOM 995 CA LEU A 60 8.435 25.248 -5.416 1.00 0.00 C ATOM 996 C LEU A 60 7.611 26.504 -5.137 1.00 0.00 C ATOM 997 O LEU A 60 6.423 26.526 -5.385 1.00 0.00 O ATOM 998 CB LEU A 60 8.072 24.146 -4.406 1.00 0.00 C ATOM 999 CG LEU A 60 8.443 22.760 -4.970 1.00 0.00 C ATOM 1000 CD1 LEU A 60 7.564 22.410 -6.191 1.00 0.00 C ATOM 1001 CD2 LEU A 60 9.919 22.754 -5.376 1.00 0.00 C ATOM 0 H LEU A 60 10.337 25.402 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 60 8.199 24.908 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.598 24.317 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.005 24.183 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 60 8.270 22.011 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.844 21.428 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.516 22.398 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.711 23.157 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.183 21.774 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.090 23.514 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.537 22.969 -4.504 1.00 0.00 H new ATOM 1013 N ASP A 61 8.203 27.562 -4.660 1.00 0.00 N ATOM 1014 CA ASP A 61 7.382 28.789 -4.440 1.00 0.00 C ATOM 1015 C ASP A 61 7.256 29.459 -5.791 1.00 0.00 C ATOM 1016 O ASP A 61 7.725 30.556 -6.019 1.00 0.00 O ATOM 1017 CB ASP A 61 8.033 29.746 -3.442 1.00 0.00 C ATOM 1018 CG ASP A 61 7.036 30.845 -3.083 1.00 0.00 C ATOM 1019 OD1 ASP A 61 6.025 30.947 -3.762 1.00 0.00 O ATOM 1020 OD2 ASP A 61 7.299 31.566 -2.136 1.00 0.00 O ATOM 0 H ASP A 61 9.191 27.634 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 61 6.413 28.521 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.336 29.206 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.935 30.182 -3.872 1.00 0.00 H new ATOM 1025 N GLU A 62 6.642 28.767 -6.697 1.00 0.00 N ATOM 1026 CA GLU A 62 6.480 29.293 -8.071 1.00 0.00 C ATOM 1027 C GLU A 62 5.728 30.621 -8.013 1.00 0.00 C ATOM 1028 O GLU A 62 6.042 31.555 -8.724 1.00 0.00 O ATOM 1029 CB GLU A 62 5.677 28.285 -8.887 1.00 0.00 C ATOM 1030 CG GLU A 62 6.314 26.894 -8.751 1.00 0.00 C ATOM 1031 CD GLU A 62 5.532 25.889 -9.601 1.00 0.00 C ATOM 1032 OE1 GLU A 62 4.478 26.254 -10.095 1.00 0.00 O ATOM 1033 OE2 GLU A 62 6.007 24.776 -9.753 1.00 0.00 O ATOM 0 H GLU A 62 6.238 27.843 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 62 7.455 29.450 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.644 28.260 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.653 28.585 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.355 26.926 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.312 26.582 -7.707 1.00 0.00 H new ATOM 1040 N ASP A 63 4.743 30.714 -7.168 1.00 0.00 N ATOM 1041 CA ASP A 63 3.978 31.986 -7.059 1.00 0.00 C ATOM 1042 C ASP A 63 4.818 33.003 -6.288 1.00 0.00 C ATOM 1043 O ASP A 63 4.517 34.180 -6.259 1.00 0.00 O ATOM 1044 CB ASP A 63 2.677 31.736 -6.297 1.00 0.00 C ATOM 1045 CG ASP A 63 1.830 30.712 -7.050 1.00 0.00 C ATOM 1046 OD1 ASP A 63 1.860 30.728 -8.269 1.00 0.00 O ATOM 1047 OD2 ASP A 63 1.167 29.927 -6.393 1.00 0.00 O ATOM 0 H ASP A 63 4.434 29.965 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 63 3.750 32.364 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.896 31.373 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.124 32.669 -6.186 1.00 0.00 H new ATOM 1052 N GLY A 64 5.877 32.557 -5.669 1.00 0.00 N ATOM 1053 CA GLY A 64 6.745 33.499 -4.902 1.00 0.00 C ATOM 1054 C GLY A 64 5.939 34.149 -3.773 1.00 0.00 C ATOM 1055 O GLY A 64 6.177 35.284 -3.410 1.00 0.00 O ATOM 0 H GLY A 64 6.179 31.583 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.600 32.964 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.140 34.267 -5.567 1.00 0.00 H new ATOM 1059 N ASP A 65 4.985 33.442 -3.215 1.00 0.00 N ATOM 1060 CA ASP A 65 4.153 34.016 -2.106 1.00 0.00 C ATOM 1061 C ASP A 65 4.577 33.397 -0.772 1.00 0.00 C ATOM 1062 O ASP A 65 3.969 33.630 0.254 1.00 0.00 O ATOM 1063 CB ASP A 65 2.671 33.721 -2.377 1.00 0.00 C ATOM 1064 CG ASP A 65 2.510 32.299 -2.919 1.00 0.00 C ATOM 1065 OD1 ASP A 65 3.492 31.576 -2.941 1.00 0.00 O ATOM 1066 OD2 ASP A 65 1.402 31.955 -3.298 1.00 0.00 O ATOM 0 H ASP A 65 4.745 32.487 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 65 4.300 35.095 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.095 33.836 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.274 34.439 -3.094 1.00 0.00 H new ATOM 1071 N GLY A 66 5.622 32.615 -0.779 1.00 0.00 N ATOM 1072 CA GLY A 66 6.100 31.982 0.485 1.00 0.00 C ATOM 1073 C GLY A 66 5.308 30.701 0.752 1.00 0.00 C ATOM 1074 O GLY A 66 5.542 30.002 1.717 1.00 0.00 O ATOM 0 H GLY A 66 6.168 32.386 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.163 31.754 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.981 32.675 1.318 1.00 0.00 H new ATOM 1078 N GLU A 67 4.370 30.392 -0.101 1.00 0.00 N ATOM 1079 CA GLU A 67 3.547 29.161 0.080 1.00 0.00 C ATOM 1080 C GLU A 67 3.307 28.505 -1.284 1.00 0.00 C ATOM 1081 O GLU A 67 3.025 29.168 -2.263 1.00 0.00 O ATOM 1082 CB GLU A 67 2.200 29.543 0.719 1.00 0.00 C ATOM 1083 CG GLU A 67 1.484 30.616 -0.126 1.00 0.00 C ATOM 1084 CD GLU A 67 0.641 29.961 -1.228 1.00 0.00 C ATOM 1085 OE1 GLU A 67 0.722 28.753 -1.379 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -0.072 30.684 -1.904 1.00 0.00 O ATOM 0 H GLU A 67 4.136 30.946 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 67 4.070 28.458 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.568 28.659 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.364 29.917 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.846 31.225 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.219 31.286 -0.572 1.00 0.00 H new ATOM 1093 N CYS A 68 3.397 27.203 -1.348 1.00 0.00 N ATOM 1094 CA CYS A 68 3.153 26.480 -2.636 1.00 0.00 C ATOM 1095 C CYS A 68 1.709 25.974 -2.617 1.00 0.00 C ATOM 1096 O CYS A 68 1.268 25.382 -1.661 1.00 0.00 O ATOM 1097 CB CYS A 68 4.141 25.313 -2.764 1.00 0.00 C ATOM 1098 SG CYS A 68 3.810 24.092 -1.471 1.00 0.00 S ATOM 0 H CYS A 68 3.631 26.602 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 68 3.301 27.139 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 68 4.048 24.851 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 68 5.164 25.679 -2.679 1.00 0.00 H new ATOM 0 HG CYS A 68 2.538 23.825 -1.442 1.00 0.00 H new ATOM 1104 N ASP A 69 0.961 26.235 -3.650 1.00 0.00 N ATOM 1105 CA ASP A 69 -0.471 25.808 -3.669 1.00 0.00 C ATOM 1106 C ASP A 69 -0.586 24.313 -3.943 1.00 0.00 C ATOM 1107 O ASP A 69 0.372 23.661 -4.309 1.00 0.00 O ATOM 1108 CB ASP A 69 -1.221 26.579 -4.758 1.00 0.00 C ATOM 1109 CG ASP A 69 -1.357 28.045 -4.343 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -1.071 28.344 -3.196 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -1.742 28.844 -5.181 1.00 0.00 O ATOM 0 H ASP A 69 1.277 26.727 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.907 26.021 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.685 26.506 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.207 26.141 -4.915 1.00 0.00 H new ATOM 1116 N PHE A 70 -1.762 23.761 -3.769 1.00 0.00 N ATOM 1117 CA PHE A 70 -1.950 22.319 -4.018 1.00 0.00 C ATOM 1118 C PHE A 70 -1.403 21.999 -5.398 1.00 0.00 C ATOM 1119 O PHE A 70 -0.769 20.996 -5.595 1.00 0.00 O ATOM 1120 CB PHE A 70 -3.445 21.985 -3.943 1.00 0.00 C ATOM 1121 CG PHE A 70 -3.716 20.585 -4.463 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -2.891 19.508 -4.102 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -4.810 20.364 -5.309 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -3.160 18.228 -4.585 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -5.076 19.081 -5.788 1.00 0.00 C ATOM 1126 CZ PHE A 70 -4.252 18.011 -5.428 1.00 0.00 C ATOM 0 H PHE A 70 -2.598 24.260 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.423 21.725 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.788 22.067 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.013 22.710 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.046 19.671 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.449 21.188 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.522 17.402 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.921 18.914 -6.439 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.459 17.019 -5.801 1.00 0.00 H new ATOM 1136 N GLN A 71 -1.630 22.859 -6.347 1.00 0.00 N ATOM 1137 CA GLN A 71 -1.093 22.617 -7.712 1.00 0.00 C ATOM 1138 C GLN A 71 0.436 22.526 -7.645 1.00 0.00 C ATOM 1139 O GLN A 71 1.039 21.616 -8.176 1.00 0.00 O ATOM 1140 CB GLN A 71 -1.517 23.789 -8.618 1.00 0.00 C ATOM 1141 CG GLN A 71 -0.560 23.932 -9.811 1.00 0.00 C ATOM 1142 CD GLN A 71 -1.182 24.857 -10.858 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -2.305 25.296 -10.708 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -0.495 25.175 -11.921 1.00 0.00 N ATOM 0 H GLN A 71 -2.165 23.720 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.483 21.683 -8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.533 23.626 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.528 24.714 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.396 24.335 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.359 22.954 -10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.448 24.807 -12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.901 25.792 -12.625 1.00 0.00 H new ATOM 1153 N GLU A 72 1.066 23.478 -7.018 1.00 0.00 N ATOM 1154 CA GLU A 72 2.548 23.461 -6.939 1.00 0.00 C ATOM 1155 C GLU A 72 3.028 22.226 -6.170 1.00 0.00 C ATOM 1156 O GLU A 72 4.003 21.598 -6.537 1.00 0.00 O ATOM 1157 CB GLU A 72 3.011 24.729 -6.235 1.00 0.00 C ATOM 1158 CG GLU A 72 2.769 25.938 -7.139 1.00 0.00 C ATOM 1159 CD GLU A 72 3.047 27.219 -6.352 1.00 0.00 C ATOM 1160 OE1 GLU A 72 4.197 27.622 -6.303 1.00 0.00 O ATOM 1161 OE2 GLU A 72 2.106 27.772 -5.807 1.00 0.00 O ATOM 0 H GLU A 72 0.616 24.268 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 72 2.968 23.419 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.473 24.852 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.070 24.653 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.416 25.887 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.741 25.936 -7.502 1.00 0.00 H new ATOM 1168 N PHE A 73 2.351 21.862 -5.115 1.00 0.00 N ATOM 1169 CA PHE A 73 2.772 20.661 -4.340 1.00 0.00 C ATOM 1170 C PHE A 73 2.596 19.411 -5.205 1.00 0.00 C ATOM 1171 O PHE A 73 3.325 18.451 -5.073 1.00 0.00 O ATOM 1172 CB PHE A 73 1.923 20.530 -3.064 1.00 0.00 C ATOM 1173 CG PHE A 73 2.118 19.150 -2.467 1.00 0.00 C ATOM 1174 CD1 PHE A 73 3.285 18.848 -1.754 1.00 0.00 C ATOM 1175 CD2 PHE A 73 1.137 18.166 -2.652 1.00 0.00 C ATOM 1176 CE1 PHE A 73 3.470 17.563 -1.228 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.320 16.885 -2.121 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.487 16.582 -1.411 1.00 0.00 C ATOM 0 H PHE A 73 1.526 22.344 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 73 3.819 20.767 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.211 21.294 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.870 20.692 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.042 19.605 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.239 18.397 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.371 17.328 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.560 16.130 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.630 15.592 -1.004 1.00 0.00 H new ATOM 1188 N MET A 74 1.623 19.410 -6.069 1.00 0.00 N ATOM 1189 CA MET A 74 1.384 18.217 -6.919 1.00 0.00 C ATOM 1190 C MET A 74 2.624 17.942 -7.757 1.00 0.00 C ATOM 1191 O MET A 74 2.981 16.809 -8.006 1.00 0.00 O ATOM 1192 CB MET A 74 0.183 18.452 -7.851 1.00 0.00 C ATOM 1193 CG MET A 74 -1.147 18.483 -7.049 1.00 0.00 C ATOM 1194 SD MET A 74 -2.305 17.258 -7.720 1.00 0.00 S ATOM 1195 CE MET A 74 -1.330 15.781 -7.332 1.00 0.00 C ATOM 0 H MET A 74 0.981 20.188 -6.223 1.00 0.00 H new ATOM 0 HA MET A 74 1.169 17.363 -6.276 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.312 19.393 -8.385 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.141 17.663 -8.602 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.952 18.273 -5.997 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.588 19.478 -7.099 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.972 15.034 -6.865 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.906 15.373 -8.250 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.525 16.046 -6.647 1.00 0.00 H new ATOM 1205 N ALA A 75 3.272 18.967 -8.219 1.00 0.00 N ATOM 1206 CA ALA A 75 4.474 18.746 -9.063 1.00 0.00 C ATOM 1207 C ALA A 75 5.629 18.183 -8.228 1.00 0.00 C ATOM 1208 O ALA A 75 6.432 17.411 -8.712 1.00 0.00 O ATOM 1209 CB ALA A 75 4.894 20.068 -9.711 1.00 0.00 C ATOM 0 H ALA A 75 3.025 19.942 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 75 4.228 18.021 -9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.776 19.906 -10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.080 20.444 -10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.125 20.797 -8.934 1.00 0.00 H new ATOM 1215 N PHE A 76 5.725 18.563 -6.990 1.00 0.00 N ATOM 1216 CA PHE A 76 6.836 18.048 -6.131 1.00 0.00 C ATOM 1217 C PHE A 76 6.751 16.527 -6.040 1.00 0.00 C ATOM 1218 O PHE A 76 7.743 15.836 -6.013 1.00 0.00 O ATOM 1219 CB PHE A 76 6.714 18.657 -4.731 1.00 0.00 C ATOM 1220 CG PHE A 76 7.929 18.303 -3.905 1.00 0.00 C ATOM 1221 CD1 PHE A 76 9.146 18.956 -4.137 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.839 17.328 -2.903 1.00 0.00 C ATOM 1223 CE1 PHE A 76 10.271 18.633 -3.370 1.00 0.00 C ATOM 1224 CE2 PHE A 76 8.964 17.008 -2.135 1.00 0.00 C ATOM 1225 CZ PHE A 76 10.180 17.660 -2.369 1.00 0.00 C ATOM 0 H PHE A 76 5.084 19.209 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 76 7.795 18.326 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.617 19.740 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.812 18.288 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.216 19.709 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.901 16.823 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.210 19.135 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.894 16.258 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.048 17.412 -1.777 1.00 0.00 H new ATOM 1235 N VAL A 77 5.564 16.020 -5.975 1.00 0.00 N ATOM 1236 CA VAL A 77 5.352 14.544 -5.869 1.00 0.00 C ATOM 1237 C VAL A 77 5.788 13.875 -7.169 1.00 0.00 C ATOM 1238 O VAL A 77 6.275 12.767 -7.176 1.00 0.00 O ATOM 1239 CB VAL A 77 3.851 14.263 -5.614 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.676 13.073 -4.665 1.00 0.00 C ATOM 1241 CG2 VAL A 77 3.209 15.503 -4.996 1.00 0.00 C ATOM 0 H VAL A 77 4.706 16.571 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 77 5.942 14.144 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 77 3.371 14.024 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.614 12.893 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.130 12.186 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.159 13.293 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.151 15.313 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.703 15.737 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.313 16.346 -5.679 1.00 0.00 H new ATOM 1251 N SER A 78 5.584 14.531 -8.269 1.00 0.00 N ATOM 1252 CA SER A 78 5.960 13.929 -9.572 1.00 0.00 C ATOM 1253 C SER A 78 7.468 13.704 -9.640 1.00 0.00 C ATOM 1254 O SER A 78 7.929 12.699 -10.144 1.00 0.00 O ATOM 1255 CB SER A 78 5.539 14.873 -10.701 1.00 0.00 C ATOM 1256 OG SER A 78 6.387 14.675 -11.824 1.00 0.00 O ATOM 0 H SER A 78 5.171 15.462 -8.324 1.00 0.00 H new ATOM 0 HA SER A 78 5.455 12.969 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.501 14.686 -10.978 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.598 15.908 -10.365 1.00 0.00 H new ATOM 0 HG SER A 78 6.726 15.541 -12.135 1.00 0.00 H new ATOM 1262 N MET A 79 8.250 14.636 -9.166 1.00 0.00 N ATOM 1263 CA MET A 79 9.729 14.454 -9.254 1.00 0.00 C ATOM 1264 C MET A 79 10.236 13.490 -8.177 1.00 0.00 C ATOM 1265 O MET A 79 11.102 12.675 -8.422 1.00 0.00 O ATOM 1266 CB MET A 79 10.418 15.804 -9.090 1.00 0.00 C ATOM 1267 CG MET A 79 9.956 16.760 -10.193 1.00 0.00 C ATOM 1268 SD MET A 79 11.117 18.143 -10.320 1.00 0.00 S ATOM 1269 CE MET A 79 11.094 18.629 -8.578 1.00 0.00 C ATOM 0 H MET A 79 7.937 15.502 -8.728 1.00 0.00 H new ATOM 0 HA MET A 79 9.962 14.029 -10.230 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.186 16.224 -8.111 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.500 15.678 -9.135 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.897 16.232 -11.145 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.955 17.131 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.547 19.615 -8.469 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.064 18.661 -8.223 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.658 17.904 -7.991 1.00 0.00 H new ATOM 1279 N VAL A 80 9.719 13.579 -6.988 1.00 0.00 N ATOM 1280 CA VAL A 80 10.190 12.671 -5.901 1.00 0.00 C ATOM 1281 C VAL A 80 9.923 11.220 -6.297 1.00 0.00 C ATOM 1282 O VAL A 80 10.725 10.338 -6.063 1.00 0.00 O ATOM 1283 CB VAL A 80 9.460 12.995 -4.601 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.878 11.992 -3.523 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.823 14.413 -4.150 1.00 0.00 C ATOM 0 H VAL A 80 8.991 14.240 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 80 11.260 12.814 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 80 8.384 12.932 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.358 12.220 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.620 10.983 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.954 12.057 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.301 14.644 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.899 14.479 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.527 15.126 -4.919 1.00 0.00 H new ATOM 1295 N THR A 81 8.797 10.974 -6.899 1.00 0.00 N ATOM 1296 CA THR A 81 8.455 9.589 -7.322 1.00 0.00 C ATOM 1297 C THR A 81 9.526 9.124 -8.293 1.00 0.00 C ATOM 1298 O THR A 81 9.947 7.984 -8.290 1.00 0.00 O ATOM 1299 CB THR A 81 7.098 9.583 -8.026 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.107 10.091 -7.146 1.00 0.00 O ATOM 1301 CG2 THR A 81 6.738 8.151 -8.425 1.00 0.00 C ATOM 0 H THR A 81 8.092 11.678 -7.119 1.00 0.00 H new ATOM 0 HA THR A 81 8.405 8.930 -6.456 1.00 0.00 H new ATOM 0 HB THR A 81 7.148 10.208 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.062 11.066 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.771 8.145 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.499 7.759 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.687 7.527 -7.533 1.00 0.00 H new ATOM 1309 N THR A 82 9.968 10.014 -9.124 1.00 0.00 N ATOM 1310 CA THR A 82 11.014 9.668 -10.109 1.00 0.00 C ATOM 1311 C THR A 82 12.226 9.115 -9.351 1.00 0.00 C ATOM 1312 O THR A 82 12.847 8.156 -9.766 1.00 0.00 O ATOM 1313 CB THR A 82 11.397 10.938 -10.873 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.216 11.650 -11.214 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.133 10.562 -12.152 1.00 0.00 C ATOM 0 H THR A 82 9.644 10.980 -9.163 1.00 0.00 H new ATOM 0 HA THR A 82 10.658 8.918 -10.815 1.00 0.00 H new ATOM 0 HB THR A 82 12.041 11.557 -10.248 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.674 11.110 -11.826 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.405 11.467 -12.695 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.035 10.004 -11.902 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.486 9.945 -12.776 1.00 0.00 H new ATOM 1323 N ALA A 83 12.551 9.698 -8.226 1.00 0.00 N ATOM 1324 CA ALA A 83 13.701 9.190 -7.424 1.00 0.00 C ATOM 1325 C ALA A 83 13.424 7.736 -7.032 1.00 0.00 C ATOM 1326 O ALA A 83 14.306 6.901 -7.025 1.00 0.00 O ATOM 1327 CB ALA A 83 13.856 10.032 -6.153 1.00 0.00 C ATOM 0 H ALA A 83 12.069 10.504 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 83 14.616 9.254 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.697 9.658 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.037 11.072 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.944 9.966 -5.559 1.00 0.00 H new ATOM 1333 N CYS A 84 12.198 7.437 -6.697 1.00 0.00 N ATOM 1334 CA CYS A 84 11.842 6.048 -6.293 1.00 0.00 C ATOM 1335 C CYS A 84 12.145 5.081 -7.440 1.00 0.00 C ATOM 1336 O CYS A 84 12.561 3.965 -7.221 1.00 0.00 O ATOM 1337 CB CYS A 84 10.351 5.983 -5.956 1.00 0.00 C ATOM 1338 SG CYS A 84 9.963 4.364 -5.247 1.00 0.00 S ATOM 0 H CYS A 84 11.423 8.100 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 84 12.429 5.766 -5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.092 6.772 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.757 6.151 -6.854 1.00 0.00 H new ATOM 0 HG CYS A 84 8.697 4.309 -4.959 1.00 0.00 H new ATOM 1344 N HIS A 85 11.945 5.496 -8.662 1.00 0.00 N ATOM 1345 CA HIS A 85 12.228 4.588 -9.812 1.00 0.00 C ATOM 1346 C HIS A 85 13.701 4.188 -9.792 1.00 0.00 C ATOM 1347 O HIS A 85 14.053 3.059 -10.068 1.00 0.00 O ATOM 1348 CB HIS A 85 11.918 5.310 -11.121 1.00 0.00 C ATOM 1349 CG HIS A 85 12.212 4.392 -12.275 1.00 0.00 C ATOM 1350 ND1 HIS A 85 12.789 4.849 -13.452 1.00 0.00 N ATOM 1351 CD2 HIS A 85 12.033 3.040 -12.444 1.00 0.00 C ATOM 1352 CE1 HIS A 85 12.937 3.789 -14.269 1.00 0.00 C ATOM 1353 NE2 HIS A 85 12.492 2.667 -13.702 1.00 0.00 N ATOM 0 H HIS A 85 11.599 6.422 -8.914 1.00 0.00 H new ATOM 0 HA HIS A 85 11.606 3.697 -9.732 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.872 5.616 -11.142 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.517 6.217 -11.201 1.00 0.00 H new ATOM 0 HD1 HIS A 85 13.053 5.812 -13.660 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.603 2.371 -11.713 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.363 3.841 -15.260 1.00 0.00 H new ATOM 1362 N GLU A 86 14.563 5.104 -9.467 1.00 0.00 N ATOM 1363 CA GLU A 86 16.014 4.780 -9.428 1.00 0.00 C ATOM 1364 C GLU A 86 16.260 3.664 -8.411 1.00 0.00 C ATOM 1365 O GLU A 86 17.060 2.776 -8.635 1.00 0.00 O ATOM 1366 CB GLU A 86 16.797 6.036 -9.026 1.00 0.00 C ATOM 1367 CG GLU A 86 18.296 5.726 -8.973 1.00 0.00 C ATOM 1368 CD GLU A 86 19.066 7.004 -8.636 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.453 8.059 -8.637 1.00 0.00 O ATOM 1370 OE2 GLU A 86 20.256 6.907 -8.384 1.00 0.00 O ATOM 0 H GLU A 86 14.326 6.066 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 86 16.346 4.445 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.608 6.836 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.456 6.391 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.494 4.960 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.631 5.328 -9.931 1.00 0.00 H new ATOM 1377 N PHE A 87 15.582 3.695 -7.297 1.00 0.00 N ATOM 1378 CA PHE A 87 15.778 2.633 -6.265 1.00 0.00 C ATOM 1379 C PHE A 87 14.747 1.522 -6.467 1.00 0.00 C ATOM 1380 O PHE A 87 14.966 0.386 -6.096 1.00 0.00 O ATOM 1381 CB PHE A 87 15.609 3.243 -4.872 1.00 0.00 C ATOM 1382 CG PHE A 87 16.782 4.144 -4.569 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.942 3.608 -3.999 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.713 5.513 -4.860 1.00 0.00 C ATOM 1385 CE1 PHE A 87 19.033 4.439 -3.717 1.00 0.00 C ATOM 1386 CE2 PHE A 87 17.805 6.344 -4.578 1.00 0.00 C ATOM 1387 CZ PHE A 87 18.965 5.807 -4.006 1.00 0.00 C ATOM 0 H PHE A 87 14.898 4.412 -7.054 1.00 0.00 H new ATOM 0 HA PHE A 87 16.780 2.214 -6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.679 3.810 -4.822 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.541 2.453 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.996 2.553 -3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.819 5.927 -5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.928 4.024 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 87 17.752 7.399 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 87 19.807 6.448 -3.788 1.00 0.00 H new ATOM 1397 N PHE A 88 13.628 1.831 -7.070 1.00 0.00 N ATOM 1398 CA PHE A 88 12.594 0.785 -7.313 1.00 0.00 C ATOM 1399 C PHE A 88 12.846 0.201 -8.704 1.00 0.00 C ATOM 1400 O PHE A 88 12.082 0.397 -9.628 1.00 0.00 O ATOM 1401 CB PHE A 88 11.186 1.417 -7.238 1.00 0.00 C ATOM 1402 CG PHE A 88 10.153 0.372 -6.844 1.00 0.00 C ATOM 1403 CD1 PHE A 88 9.841 -0.680 -7.718 1.00 0.00 C ATOM 1404 CD2 PHE A 88 9.507 0.457 -5.600 1.00 0.00 C ATOM 1405 CE1 PHE A 88 8.890 -1.639 -7.351 1.00 0.00 C ATOM 1406 CE2 PHE A 88 8.556 -0.505 -5.236 1.00 0.00 C ATOM 1407 CZ PHE A 88 8.248 -1.552 -6.111 1.00 0.00 C ATOM 0 H PHE A 88 13.387 2.764 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 88 12.651 -0.001 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.184 2.230 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.924 1.850 -8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.335 -0.750 -8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.744 1.265 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.651 -2.447 -8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.060 -0.438 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.515 -2.293 -5.829 1.00 0.00 H new ATOM 1464 N MET B 0 -3.575 8.522 4.056 1.00 0.00 N ATOM 1465 CA MET B 0 -2.978 8.210 5.386 1.00 0.00 C ATOM 1466 C MET B 0 -1.508 7.828 5.204 1.00 0.00 C ATOM 1467 O MET B 0 -1.131 6.684 5.369 1.00 0.00 O ATOM 1468 CB MET B 0 -3.733 7.040 6.024 1.00 0.00 C ATOM 1469 CG MET B 0 -5.139 7.492 6.427 1.00 0.00 C ATOM 1470 SD MET B 0 -6.025 6.104 7.179 1.00 0.00 S ATOM 1471 CE MET B 0 -7.528 7.008 7.626 1.00 0.00 C ATOM 0 H1 MET B 0 -4.375 9.175 4.179 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.857 8.965 3.448 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.911 7.644 3.612 1.00 0.00 H new ATOM 0 HA MET B 0 -3.052 9.085 6.032 1.00 0.00 H new ATOM 0 HB2 MET B 0 -3.795 6.209 5.322 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.192 6.679 6.899 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.078 8.323 7.130 1.00 0.00 H new ATOM 0 HG3 MET B 0 -5.681 7.853 5.553 1.00 0.00 H new ATOM 0 HE1 MET B 0 -8.229 6.330 8.114 1.00 0.00 H new ATOM 0 HE2 MET B 0 -7.275 7.820 8.307 1.00 0.00 H new ATOM 0 HE3 MET B 0 -7.987 7.418 6.726 1.00 0.00 H new ATOM 1483 N SER B 1 -0.674 8.772 4.857 1.00 0.00 N ATOM 1484 CA SER B 1 0.770 8.451 4.658 1.00 0.00 C ATOM 1485 C SER B 1 0.894 7.338 3.615 1.00 0.00 C ATOM 1486 O SER B 1 1.926 6.713 3.471 1.00 0.00 O ATOM 1487 CB SER B 1 1.382 7.985 5.979 1.00 0.00 C ATOM 1488 OG SER B 1 0.959 8.851 7.024 1.00 0.00 O ATOM 0 H SER B 1 -0.928 9.748 4.703 1.00 0.00 H new ATOM 0 HA SER B 1 1.299 9.340 4.314 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.076 6.961 6.194 1.00 0.00 H new ATOM 0 HB3 SER B 1 2.470 7.985 5.909 1.00 0.00 H new ATOM 0 HG SER B 1 1.349 8.554 7.873 1.00 0.00 H new ATOM 1494 N GLU B 2 -0.156 7.102 2.883 1.00 0.00 N ATOM 1495 CA GLU B 2 -0.132 6.047 1.832 1.00 0.00 C ATOM 1496 C GLU B 2 0.684 6.553 0.651 1.00 0.00 C ATOM 1497 O GLU B 2 0.879 5.865 -0.331 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.558 5.749 1.383 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.309 5.107 2.543 1.00 0.00 C ATOM 1500 CD GLU B 2 -3.746 4.797 2.118 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -4.138 5.247 1.053 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.429 4.114 2.863 1.00 0.00 O ATOM 0 H GLU B 2 -1.042 7.601 2.968 1.00 0.00 H new ATOM 0 HA GLU B 2 0.316 5.135 2.226 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -2.056 6.667 1.072 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -1.552 5.082 0.521 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -1.805 4.191 2.853 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -2.310 5.776 3.403 1.00 0.00 H new ATOM 1509 N LEU B 3 1.142 7.767 0.738 1.00 0.00 N ATOM 1510 CA LEU B 3 1.928 8.355 -0.375 1.00 0.00 C ATOM 1511 C LEU B 3 2.995 7.365 -0.840 1.00 0.00 C ATOM 1512 O LEU B 3 3.456 7.430 -1.956 1.00 0.00 O ATOM 1513 CB LEU B 3 2.582 9.649 0.111 1.00 0.00 C ATOM 1514 CG LEU B 3 3.439 10.272 -0.995 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.579 10.544 -2.240 1.00 0.00 C ATOM 1516 CD2 LEU B 3 4.017 11.591 -0.470 1.00 0.00 C ATOM 0 H LEU B 3 1.004 8.382 1.540 1.00 0.00 H new ATOM 0 HA LEU B 3 1.271 8.573 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.813 10.356 0.424 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.200 9.444 0.985 1.00 0.00 H new ATOM 0 HG LEU B 3 4.242 9.589 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.198 10.987 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.155 9.607 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.773 11.231 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.632 12.052 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.203 12.265 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.628 11.395 0.411 1.00 0.00 H new ATOM 1528 N GLU B 4 3.385 6.440 -0.009 1.00 0.00 N ATOM 1529 CA GLU B 4 4.405 5.445 -0.451 1.00 0.00 C ATOM 1530 C GLU B 4 3.761 4.524 -1.483 1.00 0.00 C ATOM 1531 O GLU B 4 4.379 4.103 -2.441 1.00 0.00 O ATOM 1532 CB GLU B 4 4.893 4.631 0.755 1.00 0.00 C ATOM 1533 CG GLU B 4 3.734 3.822 1.345 1.00 0.00 C ATOM 1534 CD GLU B 4 4.202 3.123 2.624 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.402 2.996 2.801 1.00 0.00 O ATOM 1536 OE2 GLU B 4 3.352 2.728 3.404 1.00 0.00 O ATOM 0 H GLU B 4 3.047 6.329 0.947 1.00 0.00 H new ATOM 0 HA GLU B 4 5.262 5.953 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.697 3.961 0.451 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.304 5.299 1.512 1.00 0.00 H new ATOM 0 HG2 GLU B 4 2.892 4.478 1.563 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.385 3.085 0.622 1.00 0.00 H new ATOM 1543 N LYS B 5 2.514 4.218 -1.282 1.00 0.00 N ATOM 1544 CA LYS B 5 1.781 3.330 -2.224 1.00 0.00 C ATOM 1545 C LYS B 5 1.553 4.057 -3.547 1.00 0.00 C ATOM 1546 O LYS B 5 1.633 3.474 -4.604 1.00 0.00 O ATOM 1547 CB LYS B 5 0.430 2.974 -1.600 1.00 0.00 C ATOM 1548 CG LYS B 5 -0.355 2.038 -2.521 1.00 0.00 C ATOM 1549 CD LYS B 5 -1.693 1.685 -1.858 1.00 0.00 C ATOM 1550 CE LYS B 5 -2.631 2.902 -1.860 1.00 0.00 C ATOM 1551 NZ LYS B 5 -4.040 2.434 -1.729 1.00 0.00 N ATOM 0 H LYS B 5 1.961 4.551 -0.492 1.00 0.00 H new ATOM 0 HA LYS B 5 2.361 2.426 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.584 2.497 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -0.145 3.882 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -0.528 2.517 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.219 1.132 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -2.161 0.856 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.522 1.352 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.379 3.572 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.508 3.470 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.569 2.681 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.052 1.402 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.483 2.892 -0.907 1.00 0.00 H new ATOM 1565 N ALA B 6 1.232 5.319 -3.492 1.00 0.00 N ATOM 1566 CA ALA B 6 0.963 6.075 -4.747 1.00 0.00 C ATOM 1567 C ALA B 6 2.238 6.260 -5.568 1.00 0.00 C ATOM 1568 O ALA B 6 2.215 6.169 -6.774 1.00 0.00 O ATOM 1569 CB ALA B 6 0.366 7.441 -4.405 1.00 0.00 C ATOM 0 H ALA B 6 1.144 5.860 -2.632 1.00 0.00 H new ATOM 0 HA ALA B 6 0.255 5.501 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.170 7.993 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.567 7.304 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.069 8.001 -3.789 1.00 0.00 H new ATOM 1575 N MET B 7 3.344 6.531 -4.942 1.00 0.00 N ATOM 1576 CA MET B 7 4.602 6.726 -5.718 1.00 0.00 C ATOM 1577 C MET B 7 4.996 5.420 -6.399 1.00 0.00 C ATOM 1578 O MET B 7 5.444 5.399 -7.530 1.00 0.00 O ATOM 1579 CB MET B 7 5.731 7.158 -4.780 1.00 0.00 C ATOM 1580 CG MET B 7 5.481 8.581 -4.284 1.00 0.00 C ATOM 1581 SD MET B 7 6.919 9.144 -3.341 1.00 0.00 S ATOM 1582 CE MET B 7 6.483 10.898 -3.304 1.00 0.00 C ATOM 0 H MET B 7 3.435 6.626 -3.931 1.00 0.00 H new ATOM 0 HA MET B 7 4.435 7.498 -6.470 1.00 0.00 H new ATOM 0 HB2 MET B 7 5.793 6.474 -3.933 1.00 0.00 H new ATOM 0 HB3 MET B 7 6.687 7.108 -5.301 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.301 9.247 -5.128 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.588 8.610 -3.660 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.020 11.389 -2.493 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.756 11.361 -4.252 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.410 11.003 -3.145 1.00 0.00 H new ATOM 1592 N VAL B 8 4.833 4.334 -5.713 1.00 0.00 N ATOM 1593 CA VAL B 8 5.199 3.017 -6.302 1.00 0.00 C ATOM 1594 C VAL B 8 4.267 2.710 -7.471 1.00 0.00 C ATOM 1595 O VAL B 8 4.663 2.148 -8.468 1.00 0.00 O ATOM 1596 CB VAL B 8 5.073 1.925 -5.234 1.00 0.00 C ATOM 1597 CG1 VAL B 8 5.203 0.543 -5.886 1.00 0.00 C ATOM 1598 CG2 VAL B 8 6.181 2.108 -4.192 1.00 0.00 C ATOM 0 H VAL B 8 4.460 4.296 -4.764 1.00 0.00 H new ATOM 0 HA VAL B 8 6.228 3.049 -6.660 1.00 0.00 H new ATOM 0 HB VAL B 8 4.099 2.001 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL B 8 5.113 -0.230 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.414 0.415 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL B 8 6.175 0.460 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.095 1.333 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.154 2.033 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL B 8 6.083 3.088 -3.725 1.00 0.00 H new ATOM 1608 N ALA B 9 3.023 3.047 -7.323 1.00 0.00 N ATOM 1609 CA ALA B 9 2.015 2.760 -8.383 1.00 0.00 C ATOM 1610 C ALA B 9 2.290 3.574 -9.650 1.00 0.00 C ATOM 1611 O ALA B 9 2.109 3.094 -10.749 1.00 0.00 O ATOM 1612 CB ALA B 9 0.633 3.107 -7.851 1.00 0.00 C ATOM 0 H ALA B 9 2.651 3.518 -6.498 1.00 0.00 H new ATOM 0 HA ALA B 9 2.074 1.703 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -0.114 2.901 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.422 2.505 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.600 4.164 -7.586 1.00 0.00 H new ATOM 1618 N LEU B 10 2.708 4.799 -9.517 1.00 0.00 N ATOM 1619 CA LEU B 10 2.970 5.624 -10.731 1.00 0.00 C ATOM 1620 C LEU B 10 4.045 4.926 -11.555 1.00 0.00 C ATOM 1621 O LEU B 10 3.993 4.885 -12.766 1.00 0.00 O ATOM 1622 CB LEU B 10 3.466 7.028 -10.301 1.00 0.00 C ATOM 1623 CG LEU B 10 2.384 8.088 -10.534 1.00 0.00 C ATOM 1624 CD1 LEU B 10 1.234 7.877 -9.553 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.990 9.477 -10.325 1.00 0.00 C ATOM 0 H LEU B 10 2.880 5.265 -8.626 1.00 0.00 H new ATOM 0 HA LEU B 10 2.060 5.737 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.744 7.012 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.363 7.289 -10.863 1.00 0.00 H new ATOM 0 HG LEU B 10 2.003 8.003 -11.552 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.468 8.633 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU B 10 0.805 6.886 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.607 7.961 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.225 10.236 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.370 9.559 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU B 10 3.808 9.627 -11.030 1.00 0.00 H new ATOM 1637 N ILE B 11 5.019 4.389 -10.897 1.00 0.00 N ATOM 1638 CA ILE B 11 6.114 3.695 -11.612 1.00 0.00 C ATOM 1639 C ILE B 11 5.605 2.383 -12.235 1.00 0.00 C ATOM 1640 O ILE B 11 5.997 2.022 -13.326 1.00 0.00 O ATOM 1641 CB ILE B 11 7.254 3.439 -10.623 1.00 0.00 C ATOM 1642 CG1 ILE B 11 7.906 4.785 -10.272 1.00 0.00 C ATOM 1643 CG2 ILE B 11 8.295 2.513 -11.251 1.00 0.00 C ATOM 1644 CD1 ILE B 11 8.851 4.627 -9.075 1.00 0.00 C ATOM 0 H ILE B 11 5.107 4.400 -9.881 1.00 0.00 H new ATOM 0 HA ILE B 11 6.481 4.316 -12.429 1.00 0.00 H new ATOM 0 HB ILE B 11 6.862 2.964 -9.724 1.00 0.00 H new ATOM 0 HG12 ILE B 11 8.459 5.163 -11.132 1.00 0.00 H new ATOM 0 HG13 ILE B 11 7.135 5.520 -10.040 1.00 0.00 H new ATOM 0 HG21 ILE B 11 9.102 2.337 -10.540 1.00 0.00 H new ATOM 0 HG22 ILE B 11 7.827 1.563 -11.511 1.00 0.00 H new ATOM 0 HG23 ILE B 11 8.699 2.977 -12.151 1.00 0.00 H new ATOM 0 HD11 ILE B 11 9.304 5.590 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE B 11 8.289 4.270 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE B 11 9.633 3.908 -9.321 1.00 0.00 H new ATOM 1656 N ASP B 12 4.757 1.653 -11.553 1.00 0.00 N ATOM 1657 CA ASP B 12 4.264 0.360 -12.127 1.00 0.00 C ATOM 1658 C ASP B 12 3.525 0.593 -13.455 1.00 0.00 C ATOM 1659 O ASP B 12 3.722 -0.121 -14.418 1.00 0.00 O ATOM 1660 CB ASP B 12 3.309 -0.304 -11.131 1.00 0.00 C ATOM 1661 CG ASP B 12 4.097 -0.800 -9.917 1.00 0.00 C ATOM 1662 OD1 ASP B 12 5.307 -0.916 -10.027 1.00 0.00 O ATOM 1663 OD2 ASP B 12 3.477 -1.059 -8.899 1.00 0.00 O ATOM 0 H ASP B 12 4.387 1.892 -10.633 1.00 0.00 H new ATOM 0 HA ASP B 12 5.123 -0.284 -12.315 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.545 0.406 -10.816 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.793 -1.137 -11.607 1.00 0.00 H new ATOM 1668 N VAL B 13 2.672 1.579 -13.509 1.00 0.00 N ATOM 1669 CA VAL B 13 1.908 1.860 -14.765 1.00 0.00 C ATOM 1670 C VAL B 13 2.859 2.440 -15.822 1.00 0.00 C ATOM 1671 O VAL B 13 2.724 2.193 -17.002 1.00 0.00 O ATOM 1672 CB VAL B 13 0.739 2.842 -14.428 1.00 0.00 C ATOM 1673 CG1 VAL B 13 0.892 4.185 -15.159 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -0.614 2.229 -14.825 1.00 0.00 C ATOM 0 H VAL B 13 2.468 2.208 -12.733 1.00 0.00 H new ATOM 0 HA VAL B 13 1.481 0.945 -15.175 1.00 0.00 H new ATOM 0 HB VAL B 13 0.776 3.015 -13.352 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.060 4.838 -14.898 1.00 0.00 H new ATOM 0 HG12 VAL B 13 1.830 4.656 -14.863 1.00 0.00 H new ATOM 0 HG13 VAL B 13 0.896 4.015 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -1.415 2.927 -14.583 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -0.621 2.026 -15.896 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -0.766 1.298 -14.278 1.00 0.00 H new ATOM 1684 N PHE B 14 3.813 3.216 -15.415 1.00 0.00 N ATOM 1685 CA PHE B 14 4.741 3.800 -16.412 1.00 0.00 C ATOM 1686 C PHE B 14 5.407 2.665 -17.177 1.00 0.00 C ATOM 1687 O PHE B 14 5.597 2.741 -18.368 1.00 0.00 O ATOM 1688 CB PHE B 14 5.800 4.653 -15.711 1.00 0.00 C ATOM 1689 CG PHE B 14 6.815 5.113 -16.728 1.00 0.00 C ATOM 1690 CD1 PHE B 14 6.615 6.303 -17.434 1.00 0.00 C ATOM 1691 CD2 PHE B 14 7.952 4.335 -16.976 1.00 0.00 C ATOM 1692 CE1 PHE B 14 7.551 6.716 -18.385 1.00 0.00 C ATOM 1693 CE2 PHE B 14 8.889 4.748 -17.928 1.00 0.00 C ATOM 1694 CZ PHE B 14 8.688 5.939 -18.634 1.00 0.00 C ATOM 0 H PHE B 14 3.991 3.471 -14.444 1.00 0.00 H new ATOM 0 HA PHE B 14 4.189 4.439 -17.101 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.333 5.513 -15.230 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.289 4.076 -14.926 1.00 0.00 H new ATOM 0 HD1 PHE B 14 5.737 6.903 -17.244 1.00 0.00 H new ATOM 0 HD2 PHE B 14 8.106 3.415 -16.432 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.397 7.636 -18.929 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.767 4.148 -18.118 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.410 6.259 -19.371 1.00 0.00 H new ATOM 1704 N HIS B 15 5.757 1.614 -16.504 1.00 0.00 N ATOM 1705 CA HIS B 15 6.401 0.471 -17.199 1.00 0.00 C ATOM 1706 C HIS B 15 5.368 -0.222 -18.087 1.00 0.00 C ATOM 1707 O HIS B 15 5.707 -0.930 -19.015 1.00 0.00 O ATOM 1708 CB HIS B 15 6.931 -0.525 -16.168 1.00 0.00 C ATOM 1709 CG HIS B 15 8.107 0.073 -15.446 1.00 0.00 C ATOM 1710 ND1 HIS B 15 9.273 0.440 -16.104 1.00 0.00 N ATOM 1711 CD2 HIS B 15 8.315 0.368 -14.121 1.00 0.00 C ATOM 1712 CE1 HIS B 15 10.122 0.930 -15.180 1.00 0.00 C ATOM 1713 NE2 HIS B 15 9.585 0.907 -13.959 1.00 0.00 N ATOM 0 H HIS B 15 5.626 1.494 -15.500 1.00 0.00 H new ATOM 0 HA HIS B 15 7.228 0.835 -17.808 1.00 0.00 H new ATOM 0 HB2 HIS B 15 6.146 -0.779 -15.456 1.00 0.00 H new ATOM 0 HB3 HIS B 15 7.227 -1.451 -16.661 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.601 0.206 -13.327 1.00 0.00 H new ATOM 0 HE1 HIS B 15 11.114 1.296 -15.400 1.00 0.00 H new ATOM 0 HE2 HIS B 15 10.016 1.220 -13.089 1.00 0.00 H new ATOM 1722 N GLN B 16 4.110 -0.044 -17.796 1.00 0.00 N ATOM 1723 CA GLN B 16 3.059 -0.713 -18.605 1.00 0.00 C ATOM 1724 C GLN B 16 3.153 -0.271 -20.074 1.00 0.00 C ATOM 1725 O GLN B 16 3.067 -1.085 -20.972 1.00 0.00 O ATOM 1726 CB GLN B 16 1.688 -0.333 -18.031 1.00 0.00 C ATOM 1727 CG GLN B 16 0.594 -1.130 -18.723 1.00 0.00 C ATOM 1728 CD GLN B 16 -0.731 -0.921 -17.990 1.00 0.00 C ATOM 1729 OE1 GLN B 16 -0.752 -0.436 -16.877 1.00 0.00 O ATOM 1730 NE2 GLN B 16 -1.845 -1.270 -18.572 1.00 0.00 N ATOM 0 H GLN B 16 3.766 0.537 -17.032 1.00 0.00 H new ATOM 0 HA GLN B 16 3.196 -1.794 -18.564 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.667 -0.527 -16.959 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.512 0.734 -18.165 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.501 -0.814 -19.762 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.852 -2.189 -18.734 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.826 -1.677 -19.507 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.735 -1.136 -18.092 1.00 0.00 H new ATOM 1739 N TYR B 17 3.317 1.005 -20.336 1.00 0.00 N ATOM 1740 CA TYR B 17 3.400 1.474 -21.768 1.00 0.00 C ATOM 1741 C TYR B 17 4.853 1.617 -22.241 1.00 0.00 C ATOM 1742 O TYR B 17 5.165 1.363 -23.385 1.00 0.00 O ATOM 1743 CB TYR B 17 2.705 2.830 -21.891 1.00 0.00 C ATOM 1744 CG TYR B 17 1.220 2.628 -21.758 1.00 0.00 C ATOM 1745 CD1 TYR B 17 0.657 2.488 -20.491 1.00 0.00 C ATOM 1746 CD2 TYR B 17 0.414 2.558 -22.901 1.00 0.00 C ATOM 1747 CE1 TYR B 17 -0.715 2.279 -20.355 1.00 0.00 C ATOM 1748 CE2 TYR B 17 -0.962 2.346 -22.772 1.00 0.00 C ATOM 1749 CZ TYR B 17 -1.529 2.206 -21.494 1.00 0.00 C ATOM 1750 OH TYR B 17 -2.885 1.994 -21.357 1.00 0.00 O ATOM 0 H TYR B 17 3.397 1.739 -19.632 1.00 0.00 H new ATOM 0 HA TYR B 17 2.912 0.727 -22.394 1.00 0.00 H new ATOM 0 HB2 TYR B 17 3.064 3.510 -21.118 1.00 0.00 H new ATOM 0 HB3 TYR B 17 2.939 3.288 -22.852 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.284 2.541 -19.613 1.00 0.00 H new ATOM 0 HD2 TYR B 17 0.855 2.668 -23.881 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -1.150 2.173 -19.372 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -1.587 2.290 -23.651 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.077 1.681 -20.448 1.00 0.00 H new ATOM 1760 N SER B 18 5.736 2.053 -21.393 1.00 0.00 N ATOM 1761 CA SER B 18 7.152 2.243 -21.830 1.00 0.00 C ATOM 1762 C SER B 18 7.747 0.919 -22.313 1.00 0.00 C ATOM 1763 O SER B 18 8.429 0.868 -23.317 1.00 0.00 O ATOM 1764 CB SER B 18 7.983 2.771 -20.661 1.00 0.00 C ATOM 1765 OG SER B 18 8.208 1.720 -19.731 1.00 0.00 O ATOM 0 H SER B 18 5.545 2.287 -20.419 1.00 0.00 H new ATOM 0 HA SER B 18 7.169 2.960 -22.651 1.00 0.00 H new ATOM 0 HB2 SER B 18 8.934 3.161 -21.023 1.00 0.00 H new ATOM 0 HB3 SER B 18 7.464 3.597 -20.175 1.00 0.00 H new ATOM 0 HG SER B 18 8.742 2.056 -18.981 1.00 0.00 H new ATOM 1771 N GLY B 19 7.505 -0.149 -21.605 1.00 0.00 N ATOM 1772 CA GLY B 19 8.075 -1.462 -22.022 1.00 0.00 C ATOM 1773 C GLY B 19 7.310 -2.009 -23.227 1.00 0.00 C ATOM 1774 O GLY B 19 7.764 -2.915 -23.897 1.00 0.00 O ATOM 0 H GLY B 19 6.938 -0.170 -20.757 1.00 0.00 H new ATOM 0 HA2 GLY B 19 9.129 -1.346 -22.273 1.00 0.00 H new ATOM 0 HA3 GLY B 19 8.020 -2.170 -21.195 1.00 0.00 H new ATOM 1778 N ARG B 20 6.161 -1.467 -23.522 1.00 0.00 N ATOM 1779 CA ARG B 20 5.397 -1.966 -24.698 1.00 0.00 C ATOM 1780 C ARG B 20 6.230 -1.746 -25.956 1.00 0.00 C ATOM 1781 O ARG B 20 6.312 -2.597 -26.820 1.00 0.00 O ATOM 1782 CB ARG B 20 4.084 -1.197 -24.816 1.00 0.00 C ATOM 1783 CG ARG B 20 3.299 -1.683 -26.035 1.00 0.00 C ATOM 1784 CD ARG B 20 2.000 -0.895 -26.120 1.00 0.00 C ATOM 1785 NE ARG B 20 1.222 -1.340 -27.309 1.00 0.00 N ATOM 1786 CZ ARG B 20 -0.037 -1.019 -27.421 1.00 0.00 C ATOM 1787 NH1 ARG B 20 -0.623 -0.339 -26.474 1.00 0.00 N ATOM 1788 NH2 ARG B 20 -0.711 -1.380 -28.478 1.00 0.00 N ATOM 0 H ARG B 20 5.721 -0.706 -23.004 1.00 0.00 H new ATOM 0 HA ARG B 20 5.182 -3.028 -24.577 1.00 0.00 H new ATOM 0 HB2 ARG B 20 3.490 -1.335 -23.912 1.00 0.00 H new ATOM 0 HB3 ARG B 20 4.285 -0.129 -24.905 1.00 0.00 H new ATOM 0 HG2 ARG B 20 3.886 -1.544 -26.943 1.00 0.00 H new ATOM 0 HG3 ARG B 20 3.090 -2.749 -25.950 1.00 0.00 H new ATOM 0 HD2 ARG B 20 1.414 -1.043 -25.213 1.00 0.00 H new ATOM 0 HD3 ARG B 20 2.214 0.171 -26.191 1.00 0.00 H new ATOM 0 HE ARG B 20 1.674 -1.896 -28.036 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -0.096 -0.059 -25.647 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -1.608 -0.088 -26.561 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -0.253 -1.913 -29.217 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -1.696 -1.129 -28.565 1.00 0.00 H new ATOM 1802 N GLU B 21 6.843 -0.596 -26.061 1.00 0.00 N ATOM 1803 CA GLU B 21 7.679 -0.272 -27.259 1.00 0.00 C ATOM 1804 C GLU B 21 9.147 -0.161 -26.837 1.00 0.00 C ATOM 1805 O GLU B 21 9.463 0.057 -25.684 1.00 0.00 O ATOM 1806 CB GLU B 21 7.215 1.060 -27.852 1.00 0.00 C ATOM 1807 CG GLU B 21 7.924 1.302 -29.187 1.00 0.00 C ATOM 1808 CD GLU B 21 7.368 2.569 -29.840 1.00 0.00 C ATOM 1809 OE1 GLU B 21 6.372 3.076 -29.353 1.00 0.00 O ATOM 1810 OE2 GLU B 21 7.953 3.013 -30.814 1.00 0.00 O ATOM 0 H GLU B 21 6.800 0.143 -25.359 1.00 0.00 H new ATOM 0 HA GLU B 21 7.574 -1.059 -28.005 1.00 0.00 H new ATOM 0 HB2 GLU B 21 6.135 1.048 -27.999 1.00 0.00 H new ATOM 0 HB3 GLU B 21 7.433 1.873 -27.160 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.997 1.404 -29.027 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.780 0.447 -29.847 1.00 0.00 H new ATOM 1817 N GLY B 22 10.042 -0.339 -27.768 1.00 0.00 N ATOM 1818 CA GLY B 22 11.499 -0.282 -27.454 1.00 0.00 C ATOM 1819 C GLY B 22 11.863 0.997 -26.690 1.00 0.00 C ATOM 1820 O GLY B 22 12.803 1.008 -25.919 1.00 0.00 O ATOM 0 H GLY B 22 9.824 -0.524 -28.747 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.778 -1.153 -26.861 1.00 0.00 H new ATOM 0 HA3 GLY B 22 12.073 -0.330 -28.379 1.00 0.00 H new ATOM 1824 N ASP B 23 11.161 2.080 -26.895 1.00 0.00 N ATOM 1825 CA ASP B 23 11.524 3.328 -26.172 1.00 0.00 C ATOM 1826 C ASP B 23 11.169 3.190 -24.688 1.00 0.00 C ATOM 1827 O ASP B 23 10.433 3.977 -24.139 1.00 0.00 O ATOM 1828 CB ASP B 23 10.759 4.500 -26.790 1.00 0.00 C ATOM 1829 CG ASP B 23 11.402 4.898 -28.122 1.00 0.00 C ATOM 1830 OD1 ASP B 23 12.485 4.415 -28.408 1.00 0.00 O ATOM 1831 OD2 ASP B 23 10.796 5.681 -28.836 1.00 0.00 O ATOM 0 H ASP B 23 10.362 2.152 -27.525 1.00 0.00 H new ATOM 0 HA ASP B 23 12.596 3.507 -26.258 1.00 0.00 H new ATOM 0 HB2 ASP B 23 9.717 4.222 -26.948 1.00 0.00 H new ATOM 0 HB3 ASP B 23 10.763 5.349 -26.106 1.00 0.00 H new ATOM 1836 N LYS B 24 11.693 2.190 -24.038 1.00 0.00 N ATOM 1837 CA LYS B 24 11.395 1.993 -22.588 1.00 0.00 C ATOM 1838 C LYS B 24 11.895 3.190 -21.769 1.00 0.00 C ATOM 1839 O LYS B 24 11.266 3.605 -20.815 1.00 0.00 O ATOM 1840 CB LYS B 24 12.076 0.714 -22.092 1.00 0.00 C ATOM 1841 CG LYS B 24 11.761 0.517 -20.608 1.00 0.00 C ATOM 1842 CD LYS B 24 12.221 -0.874 -20.160 1.00 0.00 C ATOM 1843 CE LYS B 24 13.731 -1.024 -20.373 1.00 0.00 C ATOM 1844 NZ LYS B 24 14.251 -2.095 -19.477 1.00 0.00 N ATOM 0 H LYS B 24 12.318 1.496 -24.448 1.00 0.00 H new ATOM 0 HA LYS B 24 10.316 1.907 -22.462 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.727 -0.144 -22.667 1.00 0.00 H new ATOM 0 HB3 LYS B 24 13.154 0.781 -22.241 1.00 0.00 H new ATOM 0 HG2 LYS B 24 12.261 1.284 -20.016 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.690 0.629 -20.436 1.00 0.00 H new ATOM 0 HD2 LYS B 24 11.978 -1.025 -19.108 1.00 0.00 H new ATOM 0 HD3 LYS B 24 11.689 -1.640 -20.723 1.00 0.00 H new ATOM 0 HE2 LYS B 24 13.940 -1.271 -21.414 1.00 0.00 H new ATOM 0 HE3 LYS B 24 14.235 -0.081 -20.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 15.276 -2.199 -19.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 14.063 -1.840 -18.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 13.777 -2.994 -19.699 1.00 0.00 H new ATOM 1858 N HIS B 25 13.038 3.724 -22.105 1.00 0.00 N ATOM 1859 CA HIS B 25 13.594 4.865 -21.315 1.00 0.00 C ATOM 1860 C HIS B 25 12.914 6.193 -21.678 1.00 0.00 C ATOM 1861 O HIS B 25 13.110 7.187 -21.009 1.00 0.00 O ATOM 1862 CB HIS B 25 15.093 4.978 -21.590 1.00 0.00 C ATOM 1863 CG HIS B 25 15.321 5.094 -23.071 1.00 0.00 C ATOM 1864 ND1 HIS B 25 15.099 4.032 -23.937 1.00 0.00 N ATOM 1865 CD2 HIS B 25 15.754 6.135 -23.856 1.00 0.00 C ATOM 1866 CE1 HIS B 25 15.396 4.454 -25.180 1.00 0.00 C ATOM 1867 NE2 HIS B 25 15.799 5.725 -25.183 1.00 0.00 N ATOM 0 H HIS B 25 13.612 3.421 -22.892 1.00 0.00 H new ATOM 0 HA HIS B 25 13.408 4.669 -20.259 1.00 0.00 H new ATOM 0 HB2 HIS B 25 15.503 5.849 -21.078 1.00 0.00 H new ATOM 0 HB3 HIS B 25 15.613 4.104 -21.198 1.00 0.00 H new ATOM 0 HD2 HIS B 25 16.018 7.119 -23.498 1.00 0.00 H new ATOM 0 HE1 HIS B 25 15.318 3.840 -26.065 1.00 0.00 H new ATOM 0 HE2 HIS B 25 16.081 6.280 -25.991 1.00 0.00 H new ATOM 1876 N LYS B 26 12.122 6.236 -22.719 1.00 0.00 N ATOM 1877 CA LYS B 26 11.453 7.527 -23.086 1.00 0.00 C ATOM 1878 C LYS B 26 10.072 7.256 -23.684 1.00 0.00 C ATOM 1879 O LYS B 26 9.793 6.193 -24.191 1.00 0.00 O ATOM 1880 CB LYS B 26 12.320 8.287 -24.099 1.00 0.00 C ATOM 1881 CG LYS B 26 12.343 7.536 -25.431 1.00 0.00 C ATOM 1882 CD LYS B 26 13.390 8.164 -26.354 1.00 0.00 C ATOM 1883 CE LYS B 26 13.311 7.507 -27.734 1.00 0.00 C ATOM 1884 NZ LYS B 26 14.259 8.182 -28.663 1.00 0.00 N ATOM 0 H LYS B 26 11.909 5.445 -23.326 1.00 0.00 H new ATOM 0 HA LYS B 26 11.333 8.132 -22.187 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.926 9.293 -24.245 1.00 0.00 H new ATOM 0 HB3 LYS B 26 13.334 8.394 -23.715 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.575 6.484 -25.263 1.00 0.00 H new ATOM 0 HG3 LYS B 26 11.360 7.575 -25.900 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.218 9.237 -26.440 1.00 0.00 H new ATOM 0 HD3 LYS B 26 14.387 8.033 -25.933 1.00 0.00 H new ATOM 0 HE2 LYS B 26 13.553 6.447 -27.658 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.295 7.575 -28.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 14.204 7.735 -29.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 14.008 9.188 -28.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.227 8.095 -28.294 1.00 0.00 H new ATOM 1898 N LEU B 27 9.204 8.225 -23.615 1.00 0.00 N ATOM 1899 CA LEU B 27 7.820 8.071 -24.165 1.00 0.00 C ATOM 1900 C LEU B 27 7.696 8.934 -25.422 1.00 0.00 C ATOM 1901 O LEU B 27 7.832 10.134 -25.367 1.00 0.00 O ATOM 1902 CB LEU B 27 6.808 8.562 -23.105 1.00 0.00 C ATOM 1903 CG LEU B 27 6.388 7.421 -22.156 1.00 0.00 C ATOM 1904 CD1 LEU B 27 5.502 6.396 -22.888 1.00 0.00 C ATOM 1905 CD2 LEU B 27 7.625 6.720 -21.583 1.00 0.00 C ATOM 0 H LEU B 27 9.394 9.135 -23.194 1.00 0.00 H new ATOM 0 HA LEU B 27 7.620 7.028 -24.410 1.00 0.00 H new ATOM 0 HB2 LEU B 27 7.249 9.374 -22.527 1.00 0.00 H new ATOM 0 HB3 LEU B 27 5.926 8.967 -23.602 1.00 0.00 H new ATOM 0 HG LEU B 27 5.814 7.858 -21.339 1.00 0.00 H new ATOM 0 HD11 LEU B 27 5.219 5.601 -22.198 1.00 0.00 H new ATOM 0 HD12 LEU B 27 4.605 6.891 -23.260 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.055 5.970 -23.725 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.312 5.917 -20.915 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.217 6.304 -22.398 1.00 0.00 H new ATOM 0 HD23 LEU B 27 8.227 7.440 -21.028 1.00 0.00 H new ATOM 1917 N LYS B 28 7.426 8.342 -26.556 1.00 0.00 N ATOM 1918 CA LYS B 28 7.282 9.154 -27.795 1.00 0.00 C ATOM 1919 C LYS B 28 5.815 9.556 -27.940 1.00 0.00 C ATOM 1920 O LYS B 28 4.933 8.855 -27.485 1.00 0.00 O ATOM 1921 CB LYS B 28 7.732 8.317 -28.999 1.00 0.00 C ATOM 1922 CG LYS B 28 7.665 9.161 -30.271 1.00 0.00 C ATOM 1923 CD LYS B 28 8.114 8.323 -31.470 1.00 0.00 C ATOM 1924 CE LYS B 28 8.045 9.174 -32.740 1.00 0.00 C ATOM 1925 NZ LYS B 28 8.720 8.457 -33.858 1.00 0.00 N ATOM 0 H LYS B 28 7.300 7.337 -26.675 1.00 0.00 H new ATOM 0 HA LYS B 28 7.899 10.051 -27.744 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.749 7.957 -28.844 1.00 0.00 H new ATOM 0 HB3 LYS B 28 7.095 7.438 -29.101 1.00 0.00 H new ATOM 0 HG2 LYS B 28 6.648 9.521 -30.427 1.00 0.00 H new ATOM 0 HG3 LYS B 28 8.302 10.040 -30.170 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.131 7.963 -31.315 1.00 0.00 H new ATOM 0 HD3 LYS B 28 7.477 7.445 -31.573 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.006 9.376 -32.999 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.524 10.138 -32.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.673 9.036 -34.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.715 8.286 -33.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.244 7.548 -34.025 1.00 0.00 H new ATOM 1939 N LYS B 29 5.541 10.685 -28.551 1.00 0.00 N ATOM 1940 CA LYS B 29 4.125 11.135 -28.706 1.00 0.00 C ATOM 1941 C LYS B 29 3.269 9.941 -29.124 1.00 0.00 C ATOM 1942 O LYS B 29 2.075 9.899 -28.902 1.00 0.00 O ATOM 1943 CB LYS B 29 4.045 12.233 -29.776 1.00 0.00 C ATOM 1944 CG LYS B 29 4.265 11.655 -31.177 1.00 0.00 C ATOM 1945 CD LYS B 29 4.426 12.805 -32.172 1.00 0.00 C ATOM 1946 CE LYS B 29 4.397 12.255 -33.598 1.00 0.00 C ATOM 1947 NZ LYS B 29 3.011 11.814 -33.925 1.00 0.00 N ATOM 0 H LYS B 29 6.239 11.313 -28.949 1.00 0.00 H new ATOM 0 HA LYS B 29 3.759 11.536 -27.761 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.071 12.720 -29.729 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.794 12.998 -29.573 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.152 11.021 -31.188 1.00 0.00 H new ATOM 0 HG3 LYS B 29 3.421 11.027 -31.462 1.00 0.00 H new ATOM 0 HD2 LYS B 29 3.626 13.533 -32.035 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.366 13.327 -31.991 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.724 13.020 -34.302 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.089 11.418 -33.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 2.887 11.794 -34.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 2.849 10.862 -33.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 2.328 12.478 -33.507 1.00 0.00 H new ATOM 1961 N SER B 30 3.892 8.962 -29.713 1.00 0.00 N ATOM 1962 CA SER B 30 3.140 7.744 -30.136 1.00 0.00 C ATOM 1963 C SER B 30 2.835 6.900 -28.900 1.00 0.00 C ATOM 1964 O SER B 30 1.719 6.474 -28.679 1.00 0.00 O ATOM 1965 CB SER B 30 3.981 6.925 -31.116 1.00 0.00 C ATOM 1966 OG SER B 30 3.275 5.740 -31.462 1.00 0.00 O ATOM 0 H SER B 30 4.890 8.950 -29.921 1.00 0.00 H new ATOM 0 HA SER B 30 2.213 8.040 -30.627 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.192 7.511 -32.011 1.00 0.00 H new ATOM 0 HB3 SER B 30 4.941 6.672 -30.667 1.00 0.00 H new ATOM 0 HG SER B 30 3.810 5.213 -32.091 1.00 0.00 H new ATOM 1972 N GLU B 31 3.827 6.670 -28.085 1.00 0.00 N ATOM 1973 CA GLU B 31 3.615 5.871 -26.849 1.00 0.00 C ATOM 1974 C GLU B 31 2.689 6.657 -25.926 1.00 0.00 C ATOM 1975 O GLU B 31 1.848 6.107 -25.251 1.00 0.00 O ATOM 1976 CB GLU B 31 4.958 5.649 -26.151 1.00 0.00 C ATOM 1977 CG GLU B 31 5.880 4.843 -27.062 1.00 0.00 C ATOM 1978 CD GLU B 31 7.273 4.785 -26.439 1.00 0.00 C ATOM 1979 OE1 GLU B 31 8.007 5.748 -26.592 1.00 0.00 O ATOM 1980 OE2 GLU B 31 7.584 3.782 -25.819 1.00 0.00 O ATOM 0 H GLU B 31 4.781 7.004 -28.224 1.00 0.00 H new ATOM 0 HA GLU B 31 3.175 4.905 -27.094 1.00 0.00 H new ATOM 0 HB2 GLU B 31 5.416 6.608 -25.909 1.00 0.00 H new ATOM 0 HB3 GLU B 31 4.807 5.121 -25.210 1.00 0.00 H new ATOM 0 HG2 GLU B 31 5.487 3.836 -27.198 1.00 0.00 H new ATOM 0 HG3 GLU B 31 5.929 5.302 -28.049 1.00 0.00 H new ATOM 1987 N LEU B 32 2.859 7.948 -25.897 1.00 0.00 N ATOM 1988 CA LEU B 32 2.016 8.813 -25.027 1.00 0.00 C ATOM 1989 C LEU B 32 0.546 8.665 -25.412 1.00 0.00 C ATOM 1990 O LEU B 32 -0.317 8.623 -24.568 1.00 0.00 O ATOM 1991 CB LEU B 32 2.457 10.266 -25.218 1.00 0.00 C ATOM 1992 CG LEU B 32 1.619 11.212 -24.351 1.00 0.00 C ATOM 1993 CD1 LEU B 32 1.758 10.842 -22.867 1.00 0.00 C ATOM 1994 CD2 LEU B 32 2.118 12.644 -24.575 1.00 0.00 C ATOM 0 H LEU B 32 3.557 8.448 -26.448 1.00 0.00 H new ATOM 0 HA LEU B 32 2.134 8.519 -23.984 1.00 0.00 H new ATOM 0 HB2 LEU B 32 3.511 10.367 -24.959 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.358 10.545 -26.267 1.00 0.00 H new ATOM 0 HG LEU B 32 0.568 11.129 -24.629 1.00 0.00 H new ATOM 0 HD11 LEU B 32 1.157 11.523 -22.264 1.00 0.00 H new ATOM 0 HD12 LEU B 32 1.412 9.820 -22.713 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.804 10.920 -22.569 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.533 13.333 -23.966 1.00 0.00 H new ATOM 0 HD22 LEU B 32 3.168 12.712 -24.292 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.008 12.907 -25.627 1.00 0.00 H new ATOM 2006 N LYS B 33 0.254 8.590 -26.677 1.00 0.00 N ATOM 2007 CA LYS B 33 -1.169 8.441 -27.109 1.00 0.00 C ATOM 2008 C LYS B 33 -1.765 7.158 -26.527 1.00 0.00 C ATOM 2009 O LYS B 33 -2.912 7.118 -26.130 1.00 0.00 O ATOM 2010 CB LYS B 33 -1.235 8.385 -28.639 1.00 0.00 C ATOM 2011 CG LYS B 33 -2.692 8.246 -29.100 1.00 0.00 C ATOM 2012 CD LYS B 33 -2.737 8.191 -30.626 1.00 0.00 C ATOM 2013 CE LYS B 33 -4.191 8.249 -31.094 1.00 0.00 C ATOM 2014 NZ LYS B 33 -4.240 8.098 -32.575 1.00 0.00 N ATOM 0 H LYS B 33 0.936 8.625 -27.435 1.00 0.00 H new ATOM 0 HA LYS B 33 -1.741 9.295 -26.747 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -0.796 9.288 -29.063 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -0.648 7.543 -29.005 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -3.134 7.343 -28.679 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -3.282 9.088 -28.738 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.174 9.024 -31.048 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.265 7.275 -30.982 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -4.770 7.458 -30.617 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -4.642 9.196 -30.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.739 8.911 -32.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -3.272 8.056 -32.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.744 7.221 -32.818 1.00 0.00 H new ATOM 2028 N GLU B 34 -1.006 6.102 -26.505 1.00 0.00 N ATOM 2029 CA GLU B 34 -1.535 4.816 -25.987 1.00 0.00 C ATOM 2030 C GLU B 34 -1.739 4.913 -24.482 1.00 0.00 C ATOM 2031 O GLU B 34 -2.668 4.366 -23.941 1.00 0.00 O ATOM 2032 CB GLU B 34 -0.547 3.697 -26.317 1.00 0.00 C ATOM 2033 CG GLU B 34 -0.551 3.447 -27.827 1.00 0.00 C ATOM 2034 CD GLU B 34 0.464 2.356 -28.167 1.00 0.00 C ATOM 2035 OE1 GLU B 34 1.206 1.970 -27.281 1.00 0.00 O ATOM 2036 OE2 GLU B 34 0.482 1.926 -29.309 1.00 0.00 O ATOM 0 H GLU B 34 -0.038 6.075 -26.825 1.00 0.00 H new ATOM 0 HA GLU B 34 -2.495 4.597 -26.455 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.454 3.971 -25.985 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.821 2.786 -25.785 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.547 3.147 -28.154 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.305 4.366 -28.359 1.00 0.00 H new ATOM 2043 N LEU B 35 -0.882 5.597 -23.795 1.00 0.00 N ATOM 2044 CA LEU B 35 -1.066 5.719 -22.330 1.00 0.00 C ATOM 2045 C LEU B 35 -2.375 6.446 -22.059 1.00 0.00 C ATOM 2046 O LEU B 35 -3.187 6.023 -21.270 1.00 0.00 O ATOM 2047 CB LEU B 35 0.096 6.520 -21.729 1.00 0.00 C ATOM 2048 CG LEU B 35 -0.082 6.657 -20.189 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.290 6.666 -19.504 1.00 0.00 C ATOM 2050 CD2 LEU B 35 -0.823 7.964 -19.827 1.00 0.00 C ATOM 0 H LEU B 35 -0.067 6.075 -24.179 1.00 0.00 H new ATOM 0 HA LEU B 35 -1.089 4.728 -21.877 1.00 0.00 H new ATOM 0 HB2 LEU B 35 1.041 6.024 -21.950 1.00 0.00 H new ATOM 0 HB3 LEU B 35 0.140 7.508 -22.186 1.00 0.00 H new ATOM 0 HG LEU B 35 -0.672 5.807 -19.845 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.158 6.762 -18.426 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.813 5.735 -19.724 1.00 0.00 H new ATOM 0 HD13 LEU B 35 1.876 7.507 -19.874 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -0.933 8.032 -18.745 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -0.251 8.819 -20.188 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -1.809 7.964 -20.292 1.00 0.00 H new ATOM 2062 N ILE B 36 -2.572 7.559 -22.697 1.00 0.00 N ATOM 2063 CA ILE B 36 -3.807 8.347 -22.455 1.00 0.00 C ATOM 2064 C ILE B 36 -5.028 7.653 -23.055 1.00 0.00 C ATOM 2065 O ILE B 36 -6.052 7.518 -22.415 1.00 0.00 O ATOM 2066 CB ILE B 36 -3.653 9.732 -23.093 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -2.361 10.388 -22.600 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -4.836 10.622 -22.698 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -2.151 11.713 -23.336 1.00 0.00 C ATOM 0 H ILE B 36 -1.928 7.960 -23.379 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.954 8.437 -21.379 1.00 0.00 H new ATOM 0 HB ILE B 36 -3.622 9.617 -24.176 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.415 10.561 -21.525 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -1.514 9.724 -22.774 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -4.720 11.605 -23.155 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -5.764 10.168 -23.044 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -4.866 10.727 -21.614 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.231 12.182 -22.986 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.078 11.527 -24.407 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.994 12.376 -23.139 1.00 0.00 H new ATOM 2081 N ASN B 37 -4.948 7.254 -24.289 1.00 0.00 N ATOM 2082 CA ASN B 37 -6.128 6.620 -24.938 1.00 0.00 C ATOM 2083 C ASN B 37 -6.551 5.338 -24.216 1.00 0.00 C ATOM 2084 O ASN B 37 -7.721 5.040 -24.104 1.00 0.00 O ATOM 2085 CB ASN B 37 -5.791 6.290 -26.392 1.00 0.00 C ATOM 2086 CG ASN B 37 -7.007 5.646 -27.058 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -7.041 4.449 -27.264 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -8.017 6.398 -27.402 1.00 0.00 N ATOM 0 H ASN B 37 -4.119 7.338 -24.878 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.957 7.326 -24.889 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.507 7.197 -26.926 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.937 5.614 -26.435 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.836 5.981 -27.844 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.987 7.403 -27.228 1.00 0.00 H new ATOM 2095 N ASN B 38 -5.609 4.548 -23.786 1.00 0.00 N ATOM 2096 CA ASN B 38 -5.945 3.237 -23.131 1.00 0.00 C ATOM 2097 C ASN B 38 -5.907 3.299 -21.599 1.00 0.00 C ATOM 2098 O ASN B 38 -6.675 2.623 -20.943 1.00 0.00 O ATOM 2099 CB ASN B 38 -4.950 2.178 -23.608 1.00 0.00 C ATOM 2100 CG ASN B 38 -5.075 2.021 -25.121 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -4.530 1.101 -25.699 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -5.770 2.896 -25.790 1.00 0.00 N ATOM 0 H ASN B 38 -4.611 4.748 -23.857 1.00 0.00 H new ATOM 0 HA ASN B 38 -6.967 2.987 -23.417 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -3.934 2.470 -23.343 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -5.147 1.227 -23.114 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -5.858 2.811 -26.803 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -6.226 3.667 -25.301 1.00 0.00 H new ATOM 2109 N GLU B 39 -5.020 4.061 -21.004 1.00 0.00 N ATOM 2110 CA GLU B 39 -4.968 4.084 -19.507 1.00 0.00 C ATOM 2111 C GLU B 39 -5.860 5.206 -18.980 1.00 0.00 C ATOM 2112 O GLU B 39 -6.291 5.174 -17.845 1.00 0.00 O ATOM 2113 CB GLU B 39 -3.516 4.315 -19.042 1.00 0.00 C ATOM 2114 CG GLU B 39 -3.359 3.867 -17.588 1.00 0.00 C ATOM 2115 CD GLU B 39 -1.965 4.254 -17.094 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -1.002 3.853 -17.725 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -1.886 4.952 -16.098 1.00 0.00 O ATOM 0 H GLU B 39 -4.342 4.657 -21.479 1.00 0.00 H new ATOM 0 HA GLU B 39 -5.323 3.129 -19.119 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.828 3.760 -19.679 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.258 5.370 -19.137 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.122 4.335 -16.966 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.500 2.789 -17.509 1.00 0.00 H new ATOM 2124 N LEU B 40 -6.150 6.189 -19.801 1.00 0.00 N ATOM 2125 CA LEU B 40 -7.022 7.329 -19.355 1.00 0.00 C ATOM 2126 C LEU B 40 -8.259 7.412 -20.253 1.00 0.00 C ATOM 2127 O LEU B 40 -8.732 8.485 -20.574 1.00 0.00 O ATOM 2128 CB LEU B 40 -6.239 8.644 -19.444 1.00 0.00 C ATOM 2129 CG LEU B 40 -4.914 8.517 -18.673 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -4.161 9.852 -18.724 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -5.186 8.134 -17.207 1.00 0.00 C ATOM 0 H LEU B 40 -5.820 6.253 -20.764 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.332 7.161 -18.324 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -6.041 8.889 -20.487 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -6.833 9.460 -19.032 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.309 7.737 -19.135 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.222 9.761 -18.177 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.953 10.113 -19.762 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.772 10.632 -18.269 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.240 8.047 -16.672 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.799 8.903 -16.738 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -5.712 7.180 -17.172 1.00 0.00 H new ATOM 2143 N SER B 41 -8.782 6.292 -20.670 1.00 0.00 N ATOM 2144 CA SER B 41 -9.981 6.313 -21.557 1.00 0.00 C ATOM 2145 C SER B 41 -11.197 6.851 -20.795 1.00 0.00 C ATOM 2146 O SER B 41 -11.659 7.948 -21.039 1.00 0.00 O ATOM 2147 CB SER B 41 -10.282 4.890 -22.030 1.00 0.00 C ATOM 2148 OG SER B 41 -10.395 4.034 -20.900 1.00 0.00 O ATOM 0 H SER B 41 -8.432 5.363 -20.435 1.00 0.00 H new ATOM 0 HA SER B 41 -9.778 6.960 -22.410 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.207 4.874 -22.607 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.489 4.538 -22.690 1.00 0.00 H new ATOM 0 HG SER B 41 -10.590 3.121 -21.199 1.00 0.00 H new ATOM 2154 N HIS B 42 -11.721 6.081 -19.883 1.00 0.00 N ATOM 2155 CA HIS B 42 -12.913 6.532 -19.106 1.00 0.00 C ATOM 2156 C HIS B 42 -12.478 7.468 -17.977 1.00 0.00 C ATOM 2157 O HIS B 42 -13.276 8.176 -17.395 1.00 0.00 O ATOM 2158 CB HIS B 42 -13.616 5.309 -18.516 1.00 0.00 C ATOM 2159 CG HIS B 42 -14.834 5.747 -17.754 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -15.885 6.417 -18.363 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -15.186 5.617 -16.433 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -16.811 6.662 -17.417 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -16.432 6.195 -16.226 1.00 0.00 N ATOM 0 H HIS B 42 -11.374 5.153 -19.640 1.00 0.00 H new ATOM 0 HA HIS B 42 -13.595 7.068 -19.766 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -13.901 4.621 -19.312 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.936 4.769 -17.856 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.587 5.139 -15.672 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -17.745 7.173 -17.599 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -16.949 6.251 -15.348 1.00 0.00 H new ATOM 2172 N PHE B 43 -11.220 7.458 -17.658 1.00 0.00 N ATOM 2173 CA PHE B 43 -10.708 8.321 -16.558 1.00 0.00 C ATOM 2174 C PHE B 43 -10.986 9.798 -16.897 1.00 0.00 C ATOM 2175 O PHE B 43 -11.450 10.562 -16.073 1.00 0.00 O ATOM 2176 CB PHE B 43 -9.192 8.071 -16.456 1.00 0.00 C ATOM 2177 CG PHE B 43 -8.641 8.314 -15.058 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -9.264 9.191 -14.153 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -7.465 7.649 -14.678 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.710 9.395 -12.883 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.917 7.856 -13.411 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.538 8.729 -12.512 1.00 0.00 C ATOM 0 H PHE B 43 -10.513 6.883 -18.116 1.00 0.00 H new ATOM 0 HA PHE B 43 -11.196 8.091 -15.611 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.978 7.044 -16.751 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -8.674 8.720 -17.162 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -10.169 9.707 -14.437 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.982 6.974 -15.369 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.189 10.069 -12.188 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -6.012 7.341 -13.124 1.00 0.00 H new ATOM 0 HZ PHE B 43 -7.113 8.889 -11.532 1.00 0.00 H new ATOM 2192 N LEU B 44 -10.712 10.211 -18.105 1.00 0.00 N ATOM 2193 CA LEU B 44 -10.959 11.637 -18.466 1.00 0.00 C ATOM 2194 C LEU B 44 -11.019 11.804 -19.985 1.00 0.00 C ATOM 2195 O LEU B 44 -11.312 10.877 -20.714 1.00 0.00 O ATOM 2196 CB LEU B 44 -9.833 12.505 -17.880 1.00 0.00 C ATOM 2197 CG LEU B 44 -8.437 11.881 -18.189 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.551 12.890 -18.932 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -7.733 11.484 -16.883 1.00 0.00 C ATOM 0 H LEU B 44 -10.331 9.629 -18.851 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.917 11.952 -18.053 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.888 13.510 -18.297 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.964 12.600 -16.802 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.592 11.000 -18.811 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.581 12.439 -19.140 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.029 13.172 -19.870 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.413 13.777 -18.314 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -6.760 11.050 -17.112 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -7.598 12.368 -16.259 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.340 10.753 -16.350 1.00 0.00 H new ATOM 2211 N GLU B 45 -10.772 12.994 -20.459 1.00 0.00 N ATOM 2212 CA GLU B 45 -10.841 13.262 -21.912 1.00 0.00 C ATOM 2213 C GLU B 45 -10.023 12.244 -22.700 1.00 0.00 C ATOM 2214 O GLU B 45 -8.846 12.419 -22.945 1.00 0.00 O ATOM 2215 CB GLU B 45 -10.287 14.663 -22.182 1.00 0.00 C ATOM 2216 CG GLU B 45 -10.240 14.931 -23.706 1.00 0.00 C ATOM 2217 CD GLU B 45 -8.834 14.680 -24.272 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -7.871 14.885 -23.552 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -8.750 14.288 -25.423 1.00 0.00 O ATOM 0 H GLU B 45 -10.522 13.801 -19.887 1.00 0.00 H new ATOM 0 HA GLU B 45 -11.881 13.189 -22.230 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.912 15.410 -21.692 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.287 14.755 -21.757 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -10.959 14.288 -24.213 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.537 15.961 -23.906 1.00 0.00 H new ATOM 2226 N GLU B 46 -10.663 11.199 -23.134 1.00 0.00 N ATOM 2227 CA GLU B 46 -9.961 10.176 -23.957 1.00 0.00 C ATOM 2228 C GLU B 46 -9.511 10.849 -25.255 1.00 0.00 C ATOM 2229 O GLU B 46 -10.145 11.769 -25.731 1.00 0.00 O ATOM 2230 CB GLU B 46 -10.921 9.022 -24.270 1.00 0.00 C ATOM 2231 CG GLU B 46 -10.210 7.963 -25.117 1.00 0.00 C ATOM 2232 CD GLU B 46 -11.170 6.803 -25.387 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -12.226 6.780 -24.775 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -10.833 5.956 -26.197 1.00 0.00 O ATOM 0 H GLU B 46 -11.648 11.006 -22.954 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.100 9.775 -23.422 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -11.281 8.576 -23.343 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -11.794 9.399 -24.802 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -9.874 8.399 -26.058 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -9.322 7.602 -24.598 1.00 0.00 H new ATOM 2241 N ILE B 47 -8.415 10.430 -25.824 1.00 0.00 N ATOM 2242 CA ILE B 47 -7.939 11.086 -27.078 1.00 0.00 C ATOM 2243 C ILE B 47 -8.600 10.424 -28.292 1.00 0.00 C ATOM 2244 O ILE B 47 -8.702 9.216 -28.366 1.00 0.00 O ATOM 2245 CB ILE B 47 -6.420 10.923 -27.198 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -5.759 11.324 -25.864 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -5.873 11.799 -28.359 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -6.122 12.768 -25.484 1.00 0.00 C ATOM 0 H ILE B 47 -7.831 9.668 -25.480 1.00 0.00 H new ATOM 0 HA ILE B 47 -8.200 12.144 -27.045 1.00 0.00 H new ATOM 0 HB ILE B 47 -6.184 9.882 -27.418 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -6.081 10.644 -25.075 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -4.676 11.227 -25.946 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -4.793 11.673 -28.432 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -6.338 11.493 -29.296 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.104 12.846 -28.164 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -5.644 13.027 -24.539 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -5.777 13.447 -26.264 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -7.203 12.856 -25.379 1.00 0.00 H new ATOM 2260 N LYS B 48 -9.043 11.207 -29.248 1.00 0.00 N ATOM 2261 CA LYS B 48 -9.695 10.631 -30.470 1.00 0.00 C ATOM 2262 C LYS B 48 -8.761 10.835 -31.668 1.00 0.00 C ATOM 2263 O LYS B 48 -8.821 10.114 -32.644 1.00 0.00 O ATOM 2264 CB LYS B 48 -11.030 11.349 -30.735 1.00 0.00 C ATOM 2265 CG LYS B 48 -11.792 11.586 -29.420 1.00 0.00 C ATOM 2266 CD LYS B 48 -12.269 10.261 -28.818 1.00 0.00 C ATOM 2267 CE LYS B 48 -12.819 10.531 -27.422 1.00 0.00 C ATOM 2268 NZ LYS B 48 -13.373 9.273 -26.847 1.00 0.00 N ATOM 0 H LYS B 48 -8.981 12.225 -29.235 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.886 9.568 -30.320 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -10.844 12.302 -31.230 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.641 10.752 -31.412 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -11.147 12.102 -28.709 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.648 12.236 -29.603 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -13.038 9.815 -29.448 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.445 9.549 -28.769 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.029 10.919 -26.779 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.596 11.294 -27.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.701 9.450 -25.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -14.172 8.948 -27.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.634 8.542 -26.835 1.00 0.00 H new ATOM 2282 N GLU B 49 -7.899 11.817 -31.593 1.00 0.00 N ATOM 2283 CA GLU B 49 -6.944 12.094 -32.712 1.00 0.00 C ATOM 2284 C GLU B 49 -5.527 12.211 -32.151 1.00 0.00 C ATOM 2285 O GLU B 49 -5.321 12.724 -31.070 1.00 0.00 O ATOM 2286 CB GLU B 49 -7.325 13.412 -33.388 1.00 0.00 C ATOM 2287 CG GLU B 49 -8.578 13.210 -34.236 1.00 0.00 C ATOM 2288 CD GLU B 49 -8.984 14.542 -34.870 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -9.632 15.324 -34.195 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -8.638 14.757 -36.020 1.00 0.00 O ATOM 0 H GLU B 49 -7.814 12.447 -30.795 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.987 11.282 -33.437 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.503 14.180 -32.635 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -6.504 13.762 -34.013 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -8.389 12.468 -35.012 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -9.390 12.826 -33.619 1.00 0.00 H new ATOM 2297 N GLN B 50 -4.545 11.756 -32.880 1.00 0.00 N ATOM 2298 CA GLN B 50 -3.149 11.869 -32.380 1.00 0.00 C ATOM 2299 C GLN B 50 -2.762 13.344 -32.367 1.00 0.00 C ATOM 2300 O GLN B 50 -1.833 13.743 -31.704 1.00 0.00 O ATOM 2301 CB GLN B 50 -2.190 11.088 -33.287 1.00 0.00 C ATOM 2302 CG GLN B 50 -2.328 11.560 -34.741 1.00 0.00 C ATOM 2303 CD GLN B 50 -1.568 12.877 -34.944 1.00 0.00 C ATOM 2304 OE1 GLN B 50 -2.014 13.739 -35.676 1.00 0.00 O ATOM 2305 NE2 GLN B 50 -0.435 13.074 -34.324 1.00 0.00 N ATOM 0 H GLN B 50 -4.649 11.314 -33.793 1.00 0.00 H new ATOM 0 HA GLN B 50 -3.084 11.451 -31.375 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -1.163 11.228 -32.948 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -2.405 10.021 -33.222 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -1.938 10.799 -35.417 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -3.381 11.697 -34.988 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -0.058 12.353 -33.709 1.00 0.00 H new ATOM 0 HE22 GLN B 50 0.073 13.949 -34.455 1.00 0.00 H new ATOM 2314 N GLU B 51 -3.474 14.155 -33.103 1.00 0.00 N ATOM 2315 CA GLU B 51 -3.159 15.614 -33.138 1.00 0.00 C ATOM 2316 C GLU B 51 -3.289 16.210 -31.737 1.00 0.00 C ATOM 2317 O GLU B 51 -2.499 17.035 -31.340 1.00 0.00 O ATOM 2318 CB GLU B 51 -4.121 16.320 -34.110 1.00 0.00 C ATOM 2319 CG GLU B 51 -5.534 16.414 -33.495 1.00 0.00 C ATOM 2320 CD GLU B 51 -5.687 17.724 -32.709 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -4.675 18.311 -32.364 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -6.817 18.125 -32.483 1.00 0.00 O ATOM 0 H GLU B 51 -4.263 13.870 -33.683 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.134 15.757 -33.481 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.749 17.319 -34.338 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -4.163 15.773 -35.052 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -6.285 16.365 -34.283 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -5.708 15.564 -32.836 1.00 0.00 H new ATOM 2329 N VAL B 52 -4.277 15.808 -30.987 1.00 0.00 N ATOM 2330 CA VAL B 52 -4.442 16.360 -29.619 1.00 0.00 C ATOM 2331 C VAL B 52 -3.209 16.017 -28.822 1.00 0.00 C ATOM 2332 O VAL B 52 -2.710 16.806 -28.054 1.00 0.00 O ATOM 2333 CB VAL B 52 -5.670 15.739 -28.960 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -5.824 16.286 -27.540 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -6.913 16.072 -29.783 1.00 0.00 C ATOM 0 H VAL B 52 -4.977 15.120 -31.265 1.00 0.00 H new ATOM 0 HA VAL B 52 -4.575 17.441 -29.661 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.549 14.657 -28.913 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -6.702 15.841 -27.072 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.937 16.039 -26.957 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -5.943 17.369 -27.578 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -7.790 15.628 -29.312 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -7.036 17.154 -29.834 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -6.800 15.672 -30.791 1.00 0.00 H new ATOM 2345 N VAL B 53 -2.718 14.839 -29.005 1.00 0.00 N ATOM 2346 CA VAL B 53 -1.509 14.422 -28.274 1.00 0.00 C ATOM 2347 C VAL B 53 -0.358 15.327 -28.668 1.00 0.00 C ATOM 2348 O VAL B 53 0.428 15.711 -27.848 1.00 0.00 O ATOM 2349 CB VAL B 53 -1.193 12.977 -28.628 1.00 0.00 C ATOM 2350 CG1 VAL B 53 0.022 12.500 -27.831 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -2.413 12.119 -28.297 1.00 0.00 C ATOM 0 H VAL B 53 -3.106 14.139 -29.637 1.00 0.00 H new ATOM 0 HA VAL B 53 -1.668 14.498 -27.198 1.00 0.00 H new ATOM 0 HB VAL B 53 -0.961 12.893 -29.690 1.00 0.00 H new ATOM 0 HG11 VAL B 53 0.243 11.464 -28.089 1.00 0.00 H new ATOM 0 HG12 VAL B 53 0.882 13.125 -28.070 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -0.192 12.570 -26.765 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -2.204 11.078 -28.545 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -2.638 12.201 -27.234 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -3.269 12.465 -28.876 1.00 0.00 H new ATOM 2361 N ASP B 54 -0.260 15.670 -29.920 1.00 0.00 N ATOM 2362 CA ASP B 54 0.844 16.562 -30.370 1.00 0.00 C ATOM 2363 C ASP B 54 0.740 17.899 -29.638 1.00 0.00 C ATOM 2364 O ASP B 54 1.724 18.481 -29.239 1.00 0.00 O ATOM 2365 CB ASP B 54 0.743 16.779 -31.883 1.00 0.00 C ATOM 2366 CG ASP B 54 1.880 17.689 -32.360 1.00 0.00 C ATOM 2367 OD1 ASP B 54 2.432 18.403 -31.540 1.00 0.00 O ATOM 2368 OD2 ASP B 54 2.176 17.657 -33.543 1.00 0.00 O ATOM 0 H ASP B 54 -0.900 15.370 -30.655 1.00 0.00 H new ATOM 0 HA ASP B 54 1.806 16.103 -30.143 1.00 0.00 H new ATOM 0 HB2 ASP B 54 0.792 15.821 -32.400 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -0.220 17.226 -32.131 1.00 0.00 H new ATOM 2373 N LYS B 55 -0.454 18.384 -29.469 1.00 0.00 N ATOM 2374 CA LYS B 55 -0.654 19.684 -28.763 1.00 0.00 C ATOM 2375 C LYS B 55 -0.142 19.533 -27.341 1.00 0.00 C ATOM 2376 O LYS B 55 0.508 20.402 -26.789 1.00 0.00 O ATOM 2377 CB LYS B 55 -2.149 20.016 -28.735 1.00 0.00 C ATOM 2378 CG LYS B 55 -2.371 21.367 -28.045 1.00 0.00 C ATOM 2379 CD LYS B 55 -3.866 21.717 -28.059 1.00 0.00 C ATOM 2380 CE LYS B 55 -4.307 22.135 -29.470 1.00 0.00 C ATOM 2381 NZ LYS B 55 -5.582 22.901 -29.382 1.00 0.00 N ATOM 0 H LYS B 55 -1.311 17.934 -29.791 1.00 0.00 H new ATOM 0 HA LYS B 55 -0.118 20.484 -29.274 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.542 20.048 -29.751 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.694 19.234 -28.206 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.007 21.326 -27.018 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -1.801 22.144 -28.554 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -4.450 20.858 -27.729 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.063 22.526 -27.355 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.535 22.745 -29.939 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -4.442 21.254 -30.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -5.883 23.185 -30.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -6.317 22.304 -28.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -5.438 23.749 -28.798 1.00 0.00 H new ATOM 2395 N VAL B 56 -0.418 18.408 -26.761 1.00 0.00 N ATOM 2396 CA VAL B 56 0.050 18.135 -25.383 1.00 0.00 C ATOM 2397 C VAL B 56 1.568 18.037 -25.412 1.00 0.00 C ATOM 2398 O VAL B 56 2.247 18.367 -24.462 1.00 0.00 O ATOM 2399 CB VAL B 56 -0.563 16.815 -24.901 1.00 0.00 C ATOM 2400 CG1 VAL B 56 0.169 16.311 -23.652 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -2.038 17.048 -24.571 1.00 0.00 C ATOM 0 H VAL B 56 -0.956 17.654 -27.189 1.00 0.00 H new ATOM 0 HA VAL B 56 -0.252 18.930 -24.701 1.00 0.00 H new ATOM 0 HB VAL B 56 -0.468 16.065 -25.686 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.278 15.373 -23.322 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.221 16.149 -23.887 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.085 17.052 -22.857 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -2.486 16.116 -24.227 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -2.121 17.801 -23.788 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -2.560 17.393 -25.463 1.00 0.00 H new ATOM 2411 N MET B 57 2.104 17.579 -26.502 1.00 0.00 N ATOM 2412 CA MET B 57 3.579 17.450 -26.597 1.00 0.00 C ATOM 2413 C MET B 57 4.213 18.834 -26.663 1.00 0.00 C ATOM 2414 O MET B 57 5.285 19.051 -26.163 1.00 0.00 O ATOM 2415 CB MET B 57 3.952 16.606 -27.813 1.00 0.00 C ATOM 2416 CG MET B 57 3.540 15.156 -27.541 1.00 0.00 C ATOM 2417 SD MET B 57 4.621 14.431 -26.282 1.00 0.00 S ATOM 2418 CE MET B 57 6.002 13.983 -27.360 1.00 0.00 C ATOM 0 H MET B 57 1.586 17.288 -27.331 1.00 0.00 H new ATOM 0 HA MET B 57 3.961 16.944 -25.710 1.00 0.00 H new ATOM 0 HB2 MET B 57 3.449 16.982 -28.704 1.00 0.00 H new ATOM 0 HB3 MET B 57 5.024 16.666 -28.002 1.00 0.00 H new ATOM 0 HG2 MET B 57 2.503 15.121 -27.206 1.00 0.00 H new ATOM 0 HG3 MET B 57 3.598 14.574 -28.461 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.021 12.902 -27.497 1.00 0.00 H new ATOM 0 HE2 MET B 57 5.881 14.470 -28.328 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.938 14.307 -26.906 1.00 0.00 H new ATOM 2428 N GLU B 58 3.558 19.797 -27.232 1.00 0.00 N ATOM 2429 CA GLU B 58 4.172 21.147 -27.255 1.00 0.00 C ATOM 2430 C GLU B 58 4.397 21.543 -25.799 1.00 0.00 C ATOM 2431 O GLU B 58 5.405 22.118 -25.438 1.00 0.00 O ATOM 2432 CB GLU B 58 3.223 22.142 -27.932 1.00 0.00 C ATOM 2433 CG GLU B 58 3.888 23.520 -28.018 1.00 0.00 C ATOM 2434 CD GLU B 58 5.067 23.464 -28.993 1.00 0.00 C ATOM 2435 OE1 GLU B 58 5.143 22.508 -29.747 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.873 24.380 -28.969 1.00 0.00 O ATOM 0 H GLU B 58 2.643 19.714 -27.674 1.00 0.00 H new ATOM 0 HA GLU B 58 5.108 21.148 -27.813 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.965 21.790 -28.931 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.293 22.212 -27.368 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.164 24.264 -28.350 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.234 23.830 -27.032 1.00 0.00 H new ATOM 2443 N THR B 59 3.452 21.219 -24.962 1.00 0.00 N ATOM 2444 CA THR B 59 3.572 21.543 -23.515 1.00 0.00 C ATOM 2445 C THR B 59 4.478 20.526 -22.793 1.00 0.00 C ATOM 2446 O THR B 59 5.319 20.900 -22.000 1.00 0.00 O ATOM 2447 CB THR B 59 2.170 21.508 -22.897 1.00 0.00 C ATOM 2448 OG1 THR B 59 1.308 22.355 -23.644 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.200 21.979 -21.440 1.00 0.00 C ATOM 0 H THR B 59 2.591 20.738 -25.223 1.00 0.00 H new ATOM 0 HA THR B 59 4.019 22.531 -23.404 1.00 0.00 H new ATOM 0 HB THR B 59 1.807 20.481 -22.922 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.410 22.334 -23.253 1.00 0.00 H new ATOM 0 HG21 THR B 59 1.192 21.944 -21.026 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.853 21.327 -20.860 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.576 23.001 -21.396 1.00 0.00 H new ATOM 2457 N LEU B 60 4.295 19.244 -23.022 1.00 0.00 N ATOM 2458 CA LEU B 60 5.130 18.229 -22.302 1.00 0.00 C ATOM 2459 C LEU B 60 6.416 17.922 -23.068 1.00 0.00 C ATOM 2460 O LEU B 60 7.323 17.321 -22.529 1.00 0.00 O ATOM 2461 CB LEU B 60 4.323 16.936 -22.092 1.00 0.00 C ATOM 2462 CG LEU B 60 3.353 17.096 -20.905 1.00 0.00 C ATOM 2463 CD1 LEU B 60 4.125 17.212 -19.574 1.00 0.00 C ATOM 2464 CD2 LEU B 60 2.494 18.344 -21.115 1.00 0.00 C ATOM 0 H LEU B 60 3.609 18.860 -23.672 1.00 0.00 H new ATOM 0 HA LEU B 60 5.405 18.646 -21.333 1.00 0.00 H new ATOM 0 HB2 LEU B 60 3.764 16.697 -22.997 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.001 16.103 -21.907 1.00 0.00 H new ATOM 0 HG LEU B 60 2.716 16.213 -20.855 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.418 17.324 -18.752 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.721 16.313 -19.420 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.782 18.081 -19.609 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.807 18.458 -20.276 1.00 0.00 H new ATOM 0 HD22 LEU B 60 3.137 19.222 -21.180 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.924 18.242 -22.039 1.00 0.00 H new ATOM 2476 N ASP B 61 6.545 18.342 -24.295 1.00 0.00 N ATOM 2477 CA ASP B 61 7.829 18.068 -25.002 1.00 0.00 C ATOM 2478 C ASP B 61 8.802 19.129 -24.534 1.00 0.00 C ATOM 2479 O ASP B 61 9.274 19.956 -25.288 1.00 0.00 O ATOM 2480 CB ASP B 61 7.677 18.136 -26.522 1.00 0.00 C ATOM 2481 CG ASP B 61 8.953 17.608 -27.174 1.00 0.00 C ATOM 2482 OD1 ASP B 61 9.936 17.445 -26.465 1.00 0.00 O ATOM 2483 OD2 ASP B 61 8.927 17.376 -28.370 1.00 0.00 O ATOM 0 H ASP B 61 5.839 18.850 -24.828 1.00 0.00 H new ATOM 0 HA ASP B 61 8.174 17.060 -24.773 1.00 0.00 H new ATOM 0 HB2 ASP B 61 6.819 17.545 -26.841 1.00 0.00 H new ATOM 0 HB3 ASP B 61 7.491 19.163 -26.836 1.00 0.00 H new ATOM 2488 N GLU B 62 9.072 19.113 -23.268 1.00 0.00 N ATOM 2489 CA GLU B 62 9.984 20.118 -22.676 1.00 0.00 C ATOM 2490 C GLU B 62 11.341 20.032 -23.370 1.00 0.00 C ATOM 2491 O GLU B 62 11.974 21.032 -23.645 1.00 0.00 O ATOM 2492 CB GLU B 62 10.148 19.811 -21.190 1.00 0.00 C ATOM 2493 CG GLU B 62 8.764 19.653 -20.544 1.00 0.00 C ATOM 2494 CD GLU B 62 8.927 19.400 -19.044 1.00 0.00 C ATOM 2495 OE1 GLU B 62 10.048 19.174 -18.619 1.00 0.00 O ATOM 2496 OE2 GLU B 62 7.927 19.436 -18.345 1.00 0.00 O ATOM 0 H GLU B 62 8.694 18.435 -22.606 1.00 0.00 H new ATOM 0 HA GLU B 62 9.577 21.121 -22.804 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.729 18.898 -21.058 1.00 0.00 H new ATOM 0 HB3 GLU B 62 10.700 20.613 -20.701 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.169 20.551 -20.710 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.227 18.825 -21.007 1.00 0.00 H new ATOM 2503 N ASP B 63 11.788 18.846 -23.661 1.00 0.00 N ATOM 2504 CA ASP B 63 13.101 18.697 -24.344 1.00 0.00 C ATOM 2505 C ASP B 63 12.934 19.063 -25.818 1.00 0.00 C ATOM 2506 O ASP B 63 13.896 19.241 -26.539 1.00 0.00 O ATOM 2507 CB ASP B 63 13.566 17.245 -24.240 1.00 0.00 C ATOM 2508 CG ASP B 63 13.734 16.865 -22.770 1.00 0.00 C ATOM 2509 OD1 ASP B 63 14.129 17.723 -21.997 1.00 0.00 O ATOM 2510 OD2 ASP B 63 13.461 15.723 -22.443 1.00 0.00 O ATOM 0 H ASP B 63 11.302 17.973 -23.456 1.00 0.00 H new ATOM 0 HA ASP B 63 13.837 19.350 -23.876 1.00 0.00 H new ATOM 0 HB2 ASP B 63 12.841 16.585 -24.716 1.00 0.00 H new ATOM 0 HB3 ASP B 63 14.510 17.116 -24.770 1.00 0.00 H new ATOM 2515 N GLY B 64 11.716 19.182 -26.269 1.00 0.00 N ATOM 2516 CA GLY B 64 11.483 19.544 -27.699 1.00 0.00 C ATOM 2517 C GLY B 64 12.082 18.467 -28.611 1.00 0.00 C ATOM 2518 O GLY B 64 12.542 18.756 -29.698 1.00 0.00 O ATOM 0 H GLY B 64 10.872 19.045 -25.712 1.00 0.00 H new ATOM 0 HA2 GLY B 64 10.414 19.642 -27.890 1.00 0.00 H new ATOM 0 HA3 GLY B 64 11.935 20.511 -27.917 1.00 0.00 H new ATOM 2522 N ASP B 65 12.083 17.227 -28.179 1.00 0.00 N ATOM 2523 CA ASP B 65 12.656 16.123 -29.017 1.00 0.00 C ATOM 2524 C ASP B 65 11.519 15.284 -29.608 1.00 0.00 C ATOM 2525 O ASP B 65 11.743 14.268 -30.235 1.00 0.00 O ATOM 2526 CB ASP B 65 13.565 15.243 -28.149 1.00 0.00 C ATOM 2527 CG ASP B 65 12.930 15.029 -26.773 1.00 0.00 C ATOM 2528 OD1 ASP B 65 11.797 15.441 -26.592 1.00 0.00 O ATOM 2529 OD2 ASP B 65 13.589 14.451 -25.924 1.00 0.00 O ATOM 0 H ASP B 65 11.710 16.931 -27.277 1.00 0.00 H new ATOM 0 HA ASP B 65 13.243 16.548 -29.832 1.00 0.00 H new ATOM 0 HB2 ASP B 65 13.727 14.282 -28.637 1.00 0.00 H new ATOM 0 HB3 ASP B 65 14.542 15.713 -28.038 1.00 0.00 H new ATOM 2534 N GLY B 66 10.299 15.708 -29.416 1.00 0.00 N ATOM 2535 CA GLY B 66 9.140 14.947 -29.968 1.00 0.00 C ATOM 2536 C GLY B 66 8.756 13.824 -29.005 1.00 0.00 C ATOM 2537 O GLY B 66 7.814 13.090 -29.233 1.00 0.00 O ATOM 0 H GLY B 66 10.054 16.552 -28.899 1.00 0.00 H new ATOM 0 HA2 GLY B 66 8.292 15.615 -30.119 1.00 0.00 H new ATOM 0 HA3 GLY B 66 9.396 14.532 -30.943 1.00 0.00 H new ATOM 2541 N GLU B 67 9.482 13.685 -27.930 1.00 0.00 N ATOM 2542 CA GLU B 67 9.180 12.615 -26.935 1.00 0.00 C ATOM 2543 C GLU B 67 9.370 13.170 -25.519 1.00 0.00 C ATOM 2544 O GLU B 67 10.319 13.874 -25.238 1.00 0.00 O ATOM 2545 CB GLU B 67 10.133 11.429 -27.163 1.00 0.00 C ATOM 2546 CG GLU B 67 11.602 11.894 -27.109 1.00 0.00 C ATOM 2547 CD GLU B 67 12.119 11.881 -25.664 1.00 0.00 C ATOM 2548 OE1 GLU B 67 11.327 11.637 -24.769 1.00 0.00 O ATOM 2549 OE2 GLU B 67 13.302 12.116 -25.480 1.00 0.00 O ATOM 0 H GLU B 67 10.281 14.274 -27.695 1.00 0.00 H new ATOM 0 HA GLU B 67 8.150 12.279 -27.053 1.00 0.00 H new ATOM 0 HB2 GLU B 67 9.960 10.665 -26.405 1.00 0.00 H new ATOM 0 HB3 GLU B 67 9.927 10.970 -28.130 1.00 0.00 H new ATOM 0 HG2 GLU B 67 12.219 11.242 -27.728 1.00 0.00 H new ATOM 0 HG3 GLU B 67 11.687 12.899 -27.522 1.00 0.00 H new ATOM 2556 N CYS B 68 8.483 12.833 -24.619 1.00 0.00 N ATOM 2557 CA CYS B 68 8.608 13.308 -23.204 1.00 0.00 C ATOM 2558 C CYS B 68 9.258 12.185 -22.397 1.00 0.00 C ATOM 2559 O CYS B 68 8.857 11.048 -22.474 1.00 0.00 O ATOM 2560 CB CYS B 68 7.218 13.643 -22.646 1.00 0.00 C ATOM 2561 SG CYS B 68 6.214 12.139 -22.574 1.00 0.00 S ATOM 0 H CYS B 68 7.670 12.245 -24.803 1.00 0.00 H new ATOM 0 HA CYS B 68 9.218 14.210 -23.147 1.00 0.00 H new ATOM 0 HB2 CYS B 68 7.310 14.079 -21.651 1.00 0.00 H new ATOM 0 HB3 CYS B 68 6.732 14.387 -23.277 1.00 0.00 H new ATOM 0 HG CYS B 68 6.919 11.170 -22.071 1.00 0.00 H new ATOM 2567 N ASP B 69 10.280 12.489 -21.651 1.00 0.00 N ATOM 2568 CA ASP B 69 10.987 11.427 -20.875 1.00 0.00 C ATOM 2569 C ASP B 69 10.184 11.035 -19.639 1.00 0.00 C ATOM 2570 O ASP B 69 9.229 11.689 -19.272 1.00 0.00 O ATOM 2571 CB ASP B 69 12.362 11.942 -20.443 1.00 0.00 C ATOM 2572 CG ASP B 69 13.271 12.059 -21.668 1.00 0.00 C ATOM 2573 OD1 ASP B 69 12.887 11.565 -22.715 1.00 0.00 O ATOM 2574 OD2 ASP B 69 14.334 12.644 -21.538 1.00 0.00 O ATOM 0 H ASP B 69 10.660 13.429 -21.543 1.00 0.00 H new ATOM 0 HA ASP B 69 11.100 10.549 -21.511 1.00 0.00 H new ATOM 0 HB2 ASP B 69 12.262 12.912 -19.957 1.00 0.00 H new ATOM 0 HB3 ASP B 69 12.803 11.264 -19.713 1.00 0.00 H new ATOM 2579 N PHE B 70 10.570 9.964 -18.988 1.00 0.00 N ATOM 2580 CA PHE B 70 9.841 9.527 -17.781 1.00 0.00 C ATOM 2581 C PHE B 70 9.719 10.716 -16.843 1.00 0.00 C ATOM 2582 O PHE B 70 8.699 10.927 -16.240 1.00 0.00 O ATOM 2583 CB PHE B 70 10.616 8.388 -17.107 1.00 0.00 C ATOM 2584 CG PHE B 70 10.063 8.097 -15.723 1.00 0.00 C ATOM 2585 CD1 PHE B 70 8.679 8.031 -15.499 1.00 0.00 C ATOM 2586 CD2 PHE B 70 10.947 7.885 -14.658 1.00 0.00 C ATOM 2587 CE1 PHE B 70 8.190 7.756 -14.222 1.00 0.00 C ATOM 2588 CE2 PHE B 70 10.453 7.609 -13.383 1.00 0.00 C ATOM 2589 CZ PHE B 70 9.075 7.544 -13.162 1.00 0.00 C ATOM 0 H PHE B 70 11.363 9.379 -19.251 1.00 0.00 H new ATOM 0 HA PHE B 70 8.847 9.163 -18.040 1.00 0.00 H new ATOM 0 HB2 PHE B 70 10.557 7.490 -17.722 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.670 8.655 -17.032 1.00 0.00 H new ATOM 0 HD1 PHE B 70 7.992 8.193 -16.316 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.013 7.935 -14.824 1.00 0.00 H new ATOM 0 HE1 PHE B 70 7.125 7.707 -14.052 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.138 7.445 -12.564 1.00 0.00 H new ATOM 0 HZ PHE B 70 8.695 7.330 -12.174 1.00 0.00 H new ATOM 2599 N GLN B 71 10.748 11.503 -16.738 1.00 0.00 N ATOM 2600 CA GLN B 71 10.682 12.701 -15.860 1.00 0.00 C ATOM 2601 C GLN B 71 9.557 13.622 -16.344 1.00 0.00 C ATOM 2602 O GLN B 71 8.733 14.073 -15.574 1.00 0.00 O ATOM 2603 CB GLN B 71 12.032 13.440 -15.942 1.00 0.00 C ATOM 2604 CG GLN B 71 11.874 14.908 -15.520 1.00 0.00 C ATOM 2605 CD GLN B 71 13.253 15.527 -15.289 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.255 14.841 -15.331 1.00 0.00 O ATOM 2607 NE2 GLN B 71 13.348 16.805 -15.040 1.00 0.00 N ATOM 0 H GLN B 71 11.635 11.369 -17.223 1.00 0.00 H new ATOM 0 HA GLN B 71 10.482 12.406 -14.830 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.761 12.948 -15.298 1.00 0.00 H new ATOM 0 HB3 GLN B 71 12.419 13.389 -16.960 1.00 0.00 H new ATOM 0 HG2 GLN B 71 11.340 15.463 -16.291 1.00 0.00 H new ATOM 0 HG3 GLN B 71 11.278 14.973 -14.610 1.00 0.00 H new ATOM 0 HE21 GLN B 71 12.507 17.382 -15.005 1.00 0.00 H new ATOM 0 HE22 GLN B 71 14.263 17.227 -14.881 1.00 0.00 H new ATOM 2616 N GLU B 72 9.536 13.922 -17.609 1.00 0.00 N ATOM 2617 CA GLU B 72 8.491 14.830 -18.141 1.00 0.00 C ATOM 2618 C GLU B 72 7.102 14.209 -17.961 1.00 0.00 C ATOM 2619 O GLU B 72 6.152 14.884 -17.616 1.00 0.00 O ATOM 2620 CB GLU B 72 8.771 15.073 -19.617 1.00 0.00 C ATOM 2621 CG GLU B 72 10.026 15.933 -19.769 1.00 0.00 C ATOM 2622 CD GLU B 72 10.404 16.013 -21.249 1.00 0.00 C ATOM 2623 OE1 GLU B 72 9.866 16.868 -21.932 1.00 0.00 O ATOM 2624 OE2 GLU B 72 11.222 15.214 -21.675 1.00 0.00 O ATOM 0 H GLU B 72 10.201 13.575 -18.300 1.00 0.00 H new ATOM 0 HA GLU B 72 8.511 15.775 -17.597 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.905 14.122 -20.133 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.919 15.570 -20.082 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.847 16.932 -19.372 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.847 15.504 -19.194 1.00 0.00 H new ATOM 2631 N PHE B 73 6.975 12.928 -18.178 1.00 0.00 N ATOM 2632 CA PHE B 73 5.647 12.275 -18.004 1.00 0.00 C ATOM 2633 C PHE B 73 5.243 12.327 -16.530 1.00 0.00 C ATOM 2634 O PHE B 73 4.077 12.388 -16.203 1.00 0.00 O ATOM 2635 CB PHE B 73 5.715 10.810 -18.468 1.00 0.00 C ATOM 2636 CG PHE B 73 4.485 10.068 -17.982 1.00 0.00 C ATOM 2637 CD1 PHE B 73 3.255 10.242 -18.628 1.00 0.00 C ATOM 2638 CD2 PHE B 73 4.577 9.222 -16.868 1.00 0.00 C ATOM 2639 CE1 PHE B 73 2.118 9.570 -18.160 1.00 0.00 C ATOM 2640 CE2 PHE B 73 3.441 8.549 -16.404 1.00 0.00 C ATOM 2641 CZ PHE B 73 2.212 8.724 -17.049 1.00 0.00 C ATOM 0 H PHE B 73 7.731 12.307 -18.467 1.00 0.00 H new ATOM 0 HA PHE B 73 4.907 12.804 -18.605 1.00 0.00 H new ATOM 0 HB2 PHE B 73 5.774 10.764 -19.555 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.616 10.336 -18.079 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.183 10.894 -19.486 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.525 9.090 -16.368 1.00 0.00 H new ATOM 0 HE1 PHE B 73 1.169 9.705 -18.657 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.513 7.895 -15.548 1.00 0.00 H new ATOM 0 HZ PHE B 73 1.335 8.206 -16.689 1.00 0.00 H new ATOM 2651 N MET B 74 6.196 12.282 -15.644 1.00 0.00 N ATOM 2652 CA MET B 74 5.868 12.302 -14.197 1.00 0.00 C ATOM 2653 C MET B 74 5.120 13.586 -13.871 1.00 0.00 C ATOM 2654 O MET B 74 4.222 13.607 -13.055 1.00 0.00 O ATOM 2655 CB MET B 74 7.153 12.237 -13.352 1.00 0.00 C ATOM 2656 CG MET B 74 7.821 10.839 -13.460 1.00 0.00 C ATOM 2657 SD MET B 74 8.043 10.124 -11.807 1.00 0.00 S ATOM 2658 CE MET B 74 6.291 10.000 -11.376 1.00 0.00 C ATOM 0 H MET B 74 7.191 12.232 -15.862 1.00 0.00 H new ATOM 0 HA MET B 74 5.248 11.436 -13.964 1.00 0.00 H new ATOM 0 HB2 MET B 74 7.851 13.004 -13.686 1.00 0.00 H new ATOM 0 HB3 MET B 74 6.918 12.452 -12.310 1.00 0.00 H new ATOM 0 HG2 MET B 74 7.204 10.179 -14.070 1.00 0.00 H new ATOM 0 HG3 MET B 74 8.786 10.926 -13.960 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.094 9.025 -10.930 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.035 10.784 -10.663 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.686 10.116 -12.275 1.00 0.00 H new ATOM 2668 N ALA B 75 5.498 14.666 -14.483 1.00 0.00 N ATOM 2669 CA ALA B 75 4.817 15.950 -14.180 1.00 0.00 C ATOM 2670 C ALA B 75 3.385 15.949 -14.725 1.00 0.00 C ATOM 2671 O ALA B 75 2.496 16.545 -14.150 1.00 0.00 O ATOM 2672 CB ALA B 75 5.612 17.104 -14.796 1.00 0.00 C ATOM 0 H ALA B 75 6.244 14.717 -15.176 1.00 0.00 H new ATOM 0 HA ALA B 75 4.768 16.075 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.114 18.048 -14.575 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.618 17.118 -14.376 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.671 16.969 -15.876 1.00 0.00 H new ATOM 2678 N PHE B 76 3.153 15.295 -15.823 1.00 0.00 N ATOM 2679 CA PHE B 76 1.775 15.265 -16.401 1.00 0.00 C ATOM 2680 C PHE B 76 0.812 14.640 -15.395 1.00 0.00 C ATOM 2681 O PHE B 76 -0.323 15.038 -15.271 1.00 0.00 O ATOM 2682 CB PHE B 76 1.786 14.435 -17.689 1.00 0.00 C ATOM 2683 CG PHE B 76 0.451 14.548 -18.389 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.125 15.719 -19.084 1.00 0.00 C ATOM 2685 CD2 PHE B 76 -0.457 13.482 -18.349 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -1.108 15.825 -19.737 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -1.689 13.588 -19.005 1.00 0.00 C ATOM 2688 CZ PHE B 76 -2.014 14.760 -19.698 1.00 0.00 C ATOM 0 H PHE B 76 3.856 14.777 -16.351 1.00 0.00 H new ATOM 0 HA PHE B 76 1.450 16.281 -16.625 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.582 14.782 -18.348 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.997 13.391 -17.457 1.00 0.00 H new ATOM 0 HD1 PHE B 76 0.825 16.541 -19.116 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -0.207 12.579 -17.812 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -1.360 16.729 -20.271 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -2.389 12.766 -18.976 1.00 0.00 H new ATOM 0 HZ PHE B 76 -2.965 14.842 -20.203 1.00 0.00 H new ATOM 2698 N VAL B 77 1.269 13.652 -14.700 1.00 0.00 N ATOM 2699 CA VAL B 77 0.416 12.949 -13.695 1.00 0.00 C ATOM 2700 C VAL B 77 0.116 13.892 -12.533 1.00 0.00 C ATOM 2701 O VAL B 77 -0.935 13.844 -11.936 1.00 0.00 O ATOM 2702 CB VAL B 77 1.168 11.700 -13.177 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.191 10.547 -12.925 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.202 11.275 -14.218 1.00 0.00 C ATOM 0 H VAL B 77 2.218 13.286 -14.781 1.00 0.00 H new ATOM 0 HA VAL B 77 -0.523 12.642 -14.157 1.00 0.00 H new ATOM 0 HB VAL B 77 1.661 11.947 -12.237 1.00 0.00 H new ATOM 0 HG11 VAL B 77 0.740 9.678 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.545 10.850 -12.180 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -0.318 10.292 -13.854 1.00 0.00 H new ATOM 0 HG21 VAL B 77 2.737 10.395 -13.861 1.00 0.00 H new ATOM 0 HG22 VAL B 77 1.699 11.038 -15.155 1.00 0.00 H new ATOM 0 HG23 VAL B 77 2.909 12.088 -14.381 1.00 0.00 H new ATOM 2714 N SER B 78 1.051 14.725 -12.192 1.00 0.00 N ATOM 2715 CA SER B 78 0.839 15.654 -11.054 1.00 0.00 C ATOM 2716 C SER B 78 -0.313 16.609 -11.355 1.00 0.00 C ATOM 2717 O SER B 78 -1.114 16.918 -10.494 1.00 0.00 O ATOM 2718 CB SER B 78 2.118 16.462 -10.823 1.00 0.00 C ATOM 2719 OG SER B 78 1.787 17.715 -10.240 1.00 0.00 O ATOM 0 H SER B 78 1.957 14.804 -12.654 1.00 0.00 H new ATOM 0 HA SER B 78 0.594 15.076 -10.163 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.795 15.912 -10.170 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.640 16.615 -11.768 1.00 0.00 H new ATOM 0 HG SER B 78 2.224 18.435 -10.741 1.00 0.00 H new ATOM 2725 N MET B 79 -0.397 17.107 -12.557 1.00 0.00 N ATOM 2726 CA MET B 79 -1.494 18.069 -12.868 1.00 0.00 C ATOM 2727 C MET B 79 -2.827 17.347 -13.086 1.00 0.00 C ATOM 2728 O MET B 79 -3.866 17.805 -12.658 1.00 0.00 O ATOM 2729 CB MET B 79 -1.132 18.854 -14.121 1.00 0.00 C ATOM 2730 CG MET B 79 0.171 19.625 -13.897 1.00 0.00 C ATOM 2731 SD MET B 79 0.319 20.926 -15.149 1.00 0.00 S ATOM 2732 CE MET B 79 0.082 19.873 -16.601 1.00 0.00 C ATOM 0 H MET B 79 0.236 16.895 -13.328 1.00 0.00 H new ATOM 0 HA MET B 79 -1.609 18.743 -12.019 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.022 18.175 -14.966 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.936 19.547 -14.371 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.181 20.062 -12.899 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.023 18.948 -13.957 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.345 20.429 -17.501 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.719 18.992 -16.520 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.961 19.562 -16.658 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.814 16.232 -13.754 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.090 15.498 -14.001 1.00 0.00 C ATOM 2744 C VAL B 80 -4.719 15.109 -12.663 1.00 0.00 C ATOM 2745 O VAL B 80 -5.918 15.177 -12.481 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.821 14.247 -14.835 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -5.112 13.433 -14.964 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -3.344 14.660 -16.226 1.00 0.00 C ATOM 0 H VAL B 80 -1.978 15.794 -14.141 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.777 16.143 -14.549 1.00 0.00 H new ATOM 0 HB VAL B 80 -3.055 13.643 -14.349 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.921 12.540 -15.559 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.459 13.141 -13.973 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.876 14.038 -15.452 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -3.151 13.769 -16.824 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.113 15.263 -16.710 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.427 15.243 -16.138 1.00 0.00 H new ATOM 2758 N THR B 81 -3.911 14.701 -11.729 1.00 0.00 N ATOM 2759 CA THR B 81 -4.440 14.300 -10.397 1.00 0.00 C ATOM 2760 C THR B 81 -5.148 15.504 -9.800 1.00 0.00 C ATOM 2761 O THR B 81 -6.178 15.394 -9.165 1.00 0.00 O ATOM 2762 CB THR B 81 -3.283 13.896 -9.484 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.566 12.823 -10.074 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.836 13.452 -8.129 1.00 0.00 C ATOM 0 H THR B 81 -2.899 14.627 -11.831 1.00 0.00 H new ATOM 0 HA THR B 81 -5.123 13.457 -10.498 1.00 0.00 H new ATOM 0 HB THR B 81 -2.616 14.747 -9.346 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.916 13.178 -10.716 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.012 13.163 -7.477 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.388 14.274 -7.674 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.503 12.601 -8.269 1.00 0.00 H new ATOM 2772 N THR B 82 -4.594 16.656 -10.012 1.00 0.00 N ATOM 2773 CA THR B 82 -5.205 17.891 -9.479 1.00 0.00 C ATOM 2774 C THR B 82 -6.645 17.980 -9.997 1.00 0.00 C ATOM 2775 O THR B 82 -7.554 18.345 -9.277 1.00 0.00 O ATOM 2776 CB THR B 82 -4.386 19.086 -9.975 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.003 18.793 -9.833 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.723 20.311 -9.139 1.00 0.00 C ATOM 0 H THR B 82 -3.732 16.795 -10.539 1.00 0.00 H new ATOM 0 HA THR B 82 -5.215 17.888 -8.389 1.00 0.00 H new ATOM 0 HB THR B 82 -4.619 19.281 -11.022 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.832 18.448 -8.932 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.141 21.163 -9.491 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.786 20.534 -9.233 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.484 20.115 -8.094 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.863 17.621 -11.234 1.00 0.00 N ATOM 2787 CA ALA B 83 -8.245 17.653 -11.793 1.00 0.00 C ATOM 2788 C ALA B 83 -9.133 16.719 -10.969 1.00 0.00 C ATOM 2789 O ALA B 83 -10.280 17.011 -10.696 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.221 17.178 -13.250 1.00 0.00 C ATOM 0 H ALA B 83 -6.141 17.306 -11.883 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.636 18.670 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.232 17.202 -13.657 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.578 17.835 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.836 16.159 -13.294 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.604 15.593 -10.579 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.400 14.621 -9.778 1.00 0.00 C ATOM 2798 C CYS B 84 -9.854 15.278 -8.471 1.00 0.00 C ATOM 2799 O CYS B 84 -10.937 15.027 -7.991 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.536 13.400 -9.458 1.00 0.00 C ATOM 2801 SG CYS B 84 -9.561 12.124 -8.686 1.00 0.00 S ATOM 0 H CYS B 84 -7.648 15.302 -10.782 1.00 0.00 H new ATOM 0 HA CYS B 84 -10.275 14.312 -10.350 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -8.081 13.014 -10.370 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.722 13.682 -8.790 1.00 0.00 H new ATOM 0 HG CYS B 84 -8.829 11.085 -8.415 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.041 16.118 -7.891 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.441 16.781 -6.616 1.00 0.00 C ATOM 2809 C HIS B 85 -10.712 17.593 -6.843 1.00 0.00 C ATOM 2810 O HIS B 85 -11.594 17.634 -6.008 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.323 17.713 -6.152 1.00 0.00 C ATOM 2812 CG HIS B 85 -8.732 18.381 -4.869 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -8.438 19.711 -4.601 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.428 17.924 -3.777 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -8.952 20.006 -3.393 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -9.563 18.951 -2.850 1.00 0.00 N ATOM 0 H HIS B 85 -8.119 16.374 -8.243 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.622 16.022 -5.855 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.402 17.149 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.118 18.463 -6.916 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -7.925 20.349 -5.210 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.811 16.921 -3.657 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -8.879 20.975 -2.922 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.812 18.241 -7.964 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.022 19.056 -8.248 1.00 0.00 C ATOM 2827 C GLU B 86 -13.258 18.151 -8.231 1.00 0.00 C ATOM 2828 O GLU B 86 -14.307 18.528 -7.747 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.873 19.711 -9.626 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.108 20.561 -9.938 1.00 0.00 C ATOM 2831 CD GLU B 86 -12.921 21.247 -11.292 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.820 21.191 -11.815 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -13.881 21.817 -11.783 1.00 0.00 O ATOM 0 H GLU B 86 -10.106 18.242 -8.700 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.136 19.831 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -10.978 20.333 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.746 18.944 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -14.000 19.935 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -13.257 21.307 -9.157 1.00 0.00 H new ATOM 2840 N PHE B 87 -13.145 16.961 -8.757 1.00 0.00 N ATOM 2841 CA PHE B 87 -14.313 16.028 -8.773 1.00 0.00 C ATOM 2842 C PHE B 87 -14.266 15.121 -7.542 1.00 0.00 C ATOM 2843 O PHE B 87 -15.280 14.632 -7.085 1.00 0.00 O ATOM 2844 CB PHE B 87 -14.267 15.173 -10.041 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.579 16.036 -11.242 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -15.910 16.230 -11.632 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -13.543 16.642 -11.963 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -16.205 17.030 -12.742 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -13.839 17.442 -13.074 1.00 0.00 C ATOM 2850 CZ PHE B 87 -15.170 17.635 -13.463 1.00 0.00 C ATOM 0 H PHE B 87 -12.292 16.592 -9.178 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.237 16.607 -8.758 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.282 14.720 -10.151 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.987 14.357 -9.969 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -16.709 15.762 -11.076 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -12.516 16.493 -11.663 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -17.232 17.180 -13.042 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -13.040 17.910 -13.631 1.00 0.00 H new ATOM 0 HZ PHE B 87 -15.398 18.251 -14.320 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.101 14.906 -6.988 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.997 14.048 -5.773 1.00 0.00 C ATOM 2862 C PHE B 88 -13.086 14.963 -4.551 1.00 0.00 C ATOM 2863 O PHE B 88 -12.132 15.157 -3.826 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.649 13.292 -5.782 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.759 11.997 -4.992 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -11.956 12.030 -3.604 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.660 10.762 -5.650 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.054 10.836 -2.879 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.758 9.569 -4.923 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.955 9.607 -3.539 1.00 0.00 C ATOM 0 H PHE B 88 -12.218 15.288 -7.325 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.799 13.310 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.354 13.075 -6.809 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -10.869 13.922 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.032 12.978 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -11.508 10.731 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.206 10.864 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -11.681 8.619 -5.431 1.00 0.00 H new ATOM 0 HZ PHE B 88 -12.031 8.686 -2.979 1.00 0.00 H new ATOM 3114 N ARG X 104 22.506 15.644 2.201 1.00 0.00 N ATOM 3115 CA ARG X 104 21.410 14.733 1.771 1.00 0.00 C ATOM 3116 C ARG X 104 20.456 15.529 0.878 1.00 0.00 C ATOM 3117 O ARG X 104 19.934 15.034 -0.103 1.00 0.00 O ATOM 3118 CB ARG X 104 20.656 14.195 2.990 1.00 0.00 C ATOM 3119 CG ARG X 104 21.528 13.175 3.739 1.00 0.00 C ATOM 3120 CD ARG X 104 22.661 13.886 4.486 1.00 0.00 C ATOM 3121 NE ARG X 104 23.203 12.983 5.540 1.00 0.00 N ATOM 3122 CZ ARG X 104 24.361 13.241 6.085 1.00 0.00 C ATOM 3123 NH1 ARG X 104 25.042 14.288 5.708 1.00 0.00 N ATOM 3124 NH2 ARG X 104 24.837 12.451 7.008 1.00 0.00 N ATOM 0 HA ARG X 104 21.823 13.884 1.226 1.00 0.00 H new ATOM 0 HB2 ARG X 104 20.390 15.017 3.655 1.00 0.00 H new ATOM 0 HB3 ARG X 104 19.724 13.726 2.674 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.916 12.612 4.444 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.944 12.456 3.034 1.00 0.00 H new ATOM 0 HD2 ARG X 104 23.451 14.165 3.789 1.00 0.00 H new ATOM 0 HD3 ARG X 104 22.292 14.808 4.936 1.00 0.00 H new ATOM 0 HE ARG X 104 22.670 12.165 5.835 1.00 0.00 H new ATOM 0 HH11 ARG X 104 24.670 14.906 4.987 1.00 0.00 H new ATOM 0 HH12 ARG X 104 25.947 14.489 6.134 1.00 0.00 H new ATOM 0 HH21 ARG X 104 24.304 11.633 7.303 1.00 0.00 H new ATOM 0 HH22 ARG X 104 25.742 12.652 7.434 1.00 0.00 H new ATOM 3138 N HIS X 105 20.236 16.771 1.211 1.00 0.00 N ATOM 3139 CA HIS X 105 19.330 17.610 0.384 1.00 0.00 C ATOM 3140 C HIS X 105 19.880 17.641 -1.041 1.00 0.00 C ATOM 3141 O HIS X 105 19.141 17.664 -2.004 1.00 0.00 O ATOM 3142 CB HIS X 105 19.276 19.031 0.961 1.00 0.00 C ATOM 3143 CG HIS X 105 18.062 19.747 0.434 1.00 0.00 C ATOM 3144 ND1 HIS X 105 18.144 20.974 -0.210 1.00 0.00 N ATOM 3145 CD2 HIS X 105 16.728 19.420 0.447 1.00 0.00 C ATOM 3146 CE1 HIS X 105 16.893 21.337 -0.553 1.00 0.00 C ATOM 3147 NE2 HIS X 105 15.997 20.424 -0.176 1.00 0.00 N ATOM 0 H HIS X 105 20.645 17.239 2.020 1.00 0.00 H new ATOM 0 HA HIS X 105 18.321 17.198 0.384 1.00 0.00 H new ATOM 0 HB2 HIS X 105 19.242 18.991 2.050 1.00 0.00 H new ATOM 0 HB3 HIS X 105 20.179 19.578 0.690 1.00 0.00 H new ATOM 0 HD1 HIS X 105 18.996 21.504 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS X 105 16.311 18.521 0.876 1.00 0.00 H new ATOM 0 HE1 HIS X 105 16.646 22.253 -1.069 1.00 0.00 H new ATOM 3156 N LYS X 106 21.178 17.622 -1.179 1.00 0.00 N ATOM 3157 CA LYS X 106 21.782 17.627 -2.539 1.00 0.00 C ATOM 3158 C LYS X 106 21.286 16.383 -3.276 1.00 0.00 C ATOM 3159 O LYS X 106 21.148 16.375 -4.483 1.00 0.00 O ATOM 3160 CB LYS X 106 23.314 17.591 -2.429 1.00 0.00 C ATOM 3161 CG LYS X 106 23.973 17.643 -3.819 1.00 0.00 C ATOM 3162 CD LYS X 106 23.813 19.036 -4.440 1.00 0.00 C ATOM 3163 CE LYS X 106 24.769 19.176 -5.627 1.00 0.00 C ATOM 3164 NZ LYS X 106 26.161 19.359 -5.126 1.00 0.00 N ATOM 0 H LYS X 106 21.845 17.603 -0.408 1.00 0.00 H new ATOM 0 HA LYS X 106 21.496 18.529 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS X 106 23.658 18.433 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS X 106 23.623 16.683 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS X 106 25.031 17.396 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS X 106 23.521 16.895 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS X 106 22.784 19.184 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS X 106 24.024 19.804 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS X 106 24.712 18.290 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS X 106 24.478 20.027 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 26.746 19.783 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 26.152 19.986 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 26.558 18.436 -4.858 1.00 0.00 H new ATOM 3178 N LYS X 107 21.018 15.326 -2.557 1.00 0.00 N ATOM 3179 CA LYS X 107 20.537 14.088 -3.225 1.00 0.00 C ATOM 3180 C LYS X 107 19.233 14.399 -3.955 1.00 0.00 C ATOM 3181 O LYS X 107 19.020 13.946 -5.056 1.00 0.00 O ATOM 3182 CB LYS X 107 20.278 12.998 -2.182 1.00 0.00 C ATOM 3183 CG LYS X 107 19.942 11.684 -2.889 1.00 0.00 C ATOM 3184 CD LYS X 107 19.683 10.595 -1.844 1.00 0.00 C ATOM 3185 CE LYS X 107 19.347 9.279 -2.548 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.340 8.170 -1.551 1.00 0.00 N ATOM 0 H LYS X 107 21.111 15.268 -1.543 1.00 0.00 H new ATOM 0 HA LYS X 107 21.292 13.738 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS X 107 21.157 12.869 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.456 13.292 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.063 11.813 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.764 11.389 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS X 107 20.562 10.467 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS X 107 18.861 10.891 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS X 107 18.374 9.352 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.079 9.075 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.247 7.260 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 20.229 8.182 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 18.539 8.294 -0.899 1.00 0.00 H new ATOM 3200 N LEU X 108 18.369 15.186 -3.363 1.00 0.00 N ATOM 3201 CA LEU X 108 17.086 15.539 -4.052 1.00 0.00 C ATOM 3202 C LEU X 108 17.394 16.468 -5.240 1.00 0.00 C ATOM 3203 O LEU X 108 16.770 16.395 -6.277 1.00 0.00 O ATOM 3204 CB LEU X 108 16.124 16.229 -3.051 1.00 0.00 C ATOM 3205 CG LEU X 108 15.063 15.227 -2.546 1.00 0.00 C ATOM 3206 CD1 LEU X 108 14.472 15.716 -1.221 1.00 0.00 C ATOM 3207 CD2 LEU X 108 13.927 15.090 -3.573 1.00 0.00 C ATOM 0 H LEU X 108 18.494 15.598 -2.438 1.00 0.00 H new ATOM 0 HA LEU X 108 16.602 14.636 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU X 108 16.690 16.625 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.634 17.075 -3.532 1.00 0.00 H new ATOM 0 HG LEU X 108 15.545 14.260 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.724 15.004 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU X 108 15.265 15.803 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU X 108 14.005 16.690 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU X 108 13.186 14.381 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU X 108 13.455 16.061 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU X 108 14.333 14.731 -4.519 1.00 0.00 H new ATOM 3219 N MET X 109 18.352 17.337 -5.098 1.00 0.00 N ATOM 3220 CA MET X 109 18.692 18.260 -6.219 1.00 0.00 C ATOM 3221 C MET X 109 18.869 17.456 -7.509 1.00 0.00 C ATOM 3222 O MET X 109 18.738 17.980 -8.596 1.00 0.00 O ATOM 3223 CB MET X 109 19.987 19.018 -5.909 1.00 0.00 C ATOM 3224 CG MET X 109 19.789 19.886 -4.668 1.00 0.00 C ATOM 3225 SD MET X 109 18.633 21.226 -5.057 1.00 0.00 S ATOM 3226 CE MET X 109 17.690 21.182 -3.515 1.00 0.00 C ATOM 0 H MET X 109 18.916 17.450 -4.256 1.00 0.00 H new ATOM 0 HA MET X 109 17.881 18.978 -6.342 1.00 0.00 H new ATOM 0 HB2 MET X 109 20.802 18.313 -5.746 1.00 0.00 H new ATOM 0 HB3 MET X 109 20.268 19.640 -6.759 1.00 0.00 H new ATOM 0 HG2 MET X 109 19.403 19.283 -3.846 1.00 0.00 H new ATOM 0 HG3 MET X 109 20.744 20.297 -4.341 1.00 0.00 H new ATOM 0 HE1 MET X 109 16.651 20.934 -3.731 1.00 0.00 H new ATOM 0 HE2 MET X 109 18.113 20.428 -2.851 1.00 0.00 H new ATOM 0 HE3 MET X 109 17.737 22.158 -3.032 1.00 0.00 H new ATOM 3236 N PHE X 110 19.192 16.195 -7.406 1.00 0.00 N ATOM 3237 CA PHE X 110 19.402 15.379 -8.643 1.00 0.00 C ATOM 3238 C PHE X 110 18.248 15.635 -9.621 1.00 0.00 C ATOM 3239 O PHE X 110 18.449 15.816 -10.806 1.00 0.00 O ATOM 3240 CB PHE X 110 19.479 13.875 -8.276 1.00 0.00 C ATOM 3241 CG PHE X 110 18.108 13.210 -8.351 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.134 13.476 -7.381 1.00 0.00 C ATOM 3243 CD2 PHE X 110 17.820 12.327 -9.400 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.879 12.863 -7.458 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.563 11.715 -9.477 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.594 11.983 -8.506 1.00 0.00 C ATOM 0 H PHE X 110 19.320 15.695 -6.526 1.00 0.00 H new ATOM 0 HA PHE X 110 20.340 15.667 -9.117 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.167 13.369 -8.953 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.883 13.765 -7.270 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.352 14.156 -6.571 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.568 12.118 -10.150 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.130 13.070 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.342 11.036 -10.287 1.00 0.00 H new ATOM 0 HZ PHE X 110 14.625 11.510 -8.565 1.00 0.00 H new ATOM 3256 N LYS X 111 17.044 15.655 -9.126 1.00 0.00 N ATOM 3257 CA LYS X 111 15.875 15.904 -10.013 1.00 0.00 C ATOM 3258 C LYS X 111 15.927 17.348 -10.534 1.00 0.00 C ATOM 3259 O LYS X 111 15.522 17.626 -11.640 1.00 0.00 O ATOM 3260 CB LYS X 111 14.591 15.698 -9.199 1.00 0.00 C ATOM 3261 CG LYS X 111 14.436 16.862 -8.212 1.00 0.00 C ATOM 3262 CD LYS X 111 13.654 16.440 -6.972 1.00 0.00 C ATOM 3263 CE LYS X 111 13.535 17.655 -6.035 1.00 0.00 C ATOM 3264 NZ LYS X 111 12.302 17.535 -5.206 1.00 0.00 N ATOM 0 H LYS X 111 16.818 15.509 -8.142 1.00 0.00 H new ATOM 0 HA LYS X 111 15.894 15.218 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.728 15.649 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.634 14.751 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.421 17.224 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.925 17.691 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.664 16.079 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS X 111 14.161 15.619 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.412 17.717 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS X 111 13.503 18.575 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.490 17.898 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 11.536 18.087 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 12.019 16.536 -5.148 1.00 0.00 H new ATOM 3278 N THR X 112 16.406 18.274 -9.730 1.00 0.00 N ATOM 3279 CA THR X 112 16.464 19.699 -10.183 1.00 0.00 C ATOM 3280 C THR X 112 17.445 19.809 -11.346 1.00 0.00 C ATOM 3281 O THR X 112 17.268 20.598 -12.253 1.00 0.00 O ATOM 3282 CB THR X 112 16.925 20.613 -9.038 1.00 0.00 C ATOM 3283 OG1 THR X 112 18.239 20.257 -8.639 1.00 0.00 O ATOM 3284 CG2 THR X 112 15.973 20.479 -7.849 1.00 0.00 C ATOM 0 H THR X 112 16.756 18.103 -8.787 1.00 0.00 H new ATOM 0 HA THR X 112 15.469 20.013 -10.498 1.00 0.00 H new ATOM 0 HB THR X 112 16.921 21.646 -9.385 1.00 0.00 H new ATOM 0 HG1 THR X 112 18.385 19.303 -8.809 1.00 0.00 H new ATOM 0 HG21 THR X 112 16.306 21.130 -7.041 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.967 20.766 -8.154 1.00 0.00 H new ATOM 0 HG23 THR X 112 15.966 19.445 -7.503 1.00 0.00 H new ATOM 3292 N GLU X 113 18.473 19.012 -11.328 1.00 0.00 N ATOM 3293 CA GLU X 113 19.471 19.043 -12.431 1.00 0.00 C ATOM 3294 CB GLU X 113 18.775 18.735 -13.778 1.00 0.00 C ATOM 3295 CG GLU X 113 17.516 17.863 -13.552 1.00 0.00 C ATOM 3296 CD GLU X 113 17.270 16.970 -14.775 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.807 17.278 -15.827 1.00 0.00 O ATOM 3298 OE2 GLU X 113 16.554 15.992 -14.636 1.00 0.00 O ATOM 0 H GLU X 113 18.667 18.334 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU X 113 18.496 19.666 -14.271 1.00 0.00 H new ATOM 0 HB3 GLU X 113 19.468 18.218 -14.442 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.645 17.247 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.649 18.500 -13.376 1.00 0.00 H new ATOM 3493 N ARG Y 104 -13.105 19.257 -25.511 1.00 0.00 N ATOM 3494 CA ARG Y 104 -12.851 18.514 -24.246 1.00 0.00 C ATOM 3495 C ARG Y 104 -11.387 18.723 -23.860 1.00 0.00 C ATOM 3496 O ARG Y 104 -11.043 18.866 -22.700 1.00 0.00 O ATOM 3497 CB ARG Y 104 -13.134 17.020 -24.437 1.00 0.00 C ATOM 3498 CG ARG Y 104 -14.647 16.782 -24.552 1.00 0.00 C ATOM 3499 CD ARG Y 104 -15.167 17.279 -25.904 1.00 0.00 C ATOM 3500 NE ARG Y 104 -16.489 16.653 -26.184 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -17.258 17.143 -27.118 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -16.865 18.179 -27.809 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -18.419 16.599 -27.361 1.00 0.00 N ATOM 0 HA ARG Y 104 -13.508 18.884 -23.459 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -12.631 16.658 -25.334 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -12.732 16.455 -23.596 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.863 15.720 -24.441 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -15.165 17.299 -23.744 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -15.261 18.365 -25.893 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -14.459 17.028 -26.693 1.00 0.00 H new ATOM 0 HE ARG Y 104 -16.793 15.842 -25.646 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -15.958 18.605 -27.619 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -17.465 18.563 -28.539 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -18.726 15.790 -26.821 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -19.019 16.983 -28.091 1.00 0.00 H new ATOM 3517 N HIS Y 105 -10.519 18.754 -24.833 1.00 0.00 N ATOM 3518 CA HIS Y 105 -9.079 18.965 -24.536 1.00 0.00 C ATOM 3519 C HIS Y 105 -8.936 20.294 -23.795 1.00 0.00 C ATOM 3520 O HIS Y 105 -8.109 20.444 -22.919 1.00 0.00 O ATOM 3521 CB HIS Y 105 -8.283 19.003 -25.847 1.00 0.00 C ATOM 3522 CG HIS Y 105 -6.824 18.770 -25.560 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -5.835 19.645 -25.987 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -6.174 17.766 -24.887 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -4.653 19.153 -25.569 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -4.807 18.012 -24.896 1.00 0.00 N ATOM 0 H HIS Y 105 -10.747 18.642 -25.821 1.00 0.00 H new ATOM 0 HA HIS Y 105 -8.693 18.152 -23.921 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -8.655 18.241 -26.532 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -8.418 19.967 -26.338 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -5.977 20.503 -26.520 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -6.652 16.916 -24.422 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -3.699 19.624 -25.756 1.00 0.00 H new ATOM 3535 N LYS Y 106 -9.756 21.254 -24.130 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.689 22.567 -23.434 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.951 22.324 -21.949 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.457 23.032 -21.094 1.00 0.00 O ATOM 3539 CB LYS Y 106 -10.757 23.514 -24.003 1.00 0.00 C ATOM 3540 CG LYS Y 106 -10.681 24.900 -23.337 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.437 25.659 -23.817 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.564 27.134 -23.432 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -10.545 27.799 -24.335 1.00 0.00 N ATOM 0 H LYS Y 106 -10.469 21.184 -24.856 1.00 0.00 H new ATOM 0 HA LYS Y 106 -8.710 23.024 -23.578 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -10.620 23.616 -25.080 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -11.747 23.086 -23.847 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -11.578 25.473 -23.573 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.650 24.788 -22.253 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -8.540 25.230 -23.369 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -9.332 25.561 -24.897 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -9.888 27.224 -22.395 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -8.594 27.625 -23.506 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -10.382 28.826 -24.328 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -10.428 27.436 -25.303 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -11.511 27.600 -24.005 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.731 21.325 -21.632 1.00 0.00 N ATOM 3558 CA LYS Y 107 -11.021 21.049 -20.200 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.707 20.757 -19.481 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.497 21.204 -18.376 1.00 0.00 O ATOM 3561 CB LYS Y 107 -11.941 19.832 -20.081 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.364 19.652 -18.622 1.00 0.00 C ATOM 3563 CD LYS Y 107 -13.284 18.435 -18.506 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.707 18.249 -17.048 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -14.767 17.204 -16.966 1.00 0.00 N ATOM 0 H LYS Y 107 -11.176 20.694 -22.299 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.512 21.913 -19.753 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -12.820 19.964 -20.712 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -11.427 18.938 -20.434 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -11.485 19.519 -17.991 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.878 20.546 -18.268 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -14.163 18.570 -19.136 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -12.770 17.543 -18.863 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -12.848 17.958 -16.443 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -14.078 19.191 -16.643 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -15.102 17.126 -15.985 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -15.562 17.466 -17.583 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -14.378 16.290 -17.273 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.811 20.032 -20.106 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.496 19.742 -19.449 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.673 21.041 -19.380 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.966 21.290 -18.429 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.736 18.656 -20.252 1.00 0.00 C ATOM 3584 CG LEU Y 108 -6.876 17.280 -19.565 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -6.606 16.164 -20.576 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.869 17.155 -18.409 1.00 0.00 C ATOM 0 H LEU Y 108 -8.931 19.631 -21.036 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.659 19.369 -18.438 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -7.129 18.604 -21.267 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.682 18.924 -20.331 1.00 0.00 H new ATOM 0 HG LEU Y 108 -7.890 17.192 -19.175 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -6.706 15.196 -20.085 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -7.324 16.232 -21.394 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.595 16.267 -20.971 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -5.979 16.180 -17.934 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.855 17.257 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -6.058 17.939 -17.676 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.763 21.870 -20.380 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.986 23.144 -20.362 1.00 0.00 C ATOM 3600 C MET Y 109 -6.207 23.864 -19.029 1.00 0.00 C ATOM 3601 O MET Y 109 -5.399 24.667 -18.610 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.431 24.055 -21.511 1.00 0.00 C ATOM 3603 CG MET Y 109 -6.137 23.375 -22.847 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.342 23.293 -23.091 1.00 0.00 S ATOM 3605 CE MET Y 109 -4.265 21.616 -23.768 1.00 0.00 C ATOM 0 H MET Y 109 -7.339 21.723 -21.209 1.00 0.00 H new ATOM 0 HA MET Y 109 -4.928 22.910 -20.482 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.496 24.269 -21.427 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -5.909 25.010 -21.455 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -6.564 22.372 -22.860 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -6.602 23.930 -23.662 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -3.672 20.984 -23.107 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -5.273 21.210 -23.850 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -3.803 21.643 -24.755 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.305 23.607 -18.368 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.573 24.309 -17.073 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.309 24.266 -16.204 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.914 25.251 -15.610 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.758 23.627 -16.341 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.275 22.541 -15.386 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.788 21.323 -15.879 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.315 22.762 -14.003 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.344 20.335 -14.997 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -7.870 21.771 -13.120 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.384 20.558 -13.619 1.00 0.00 C ATOM 0 H PHE Y 110 -8.024 22.947 -18.664 1.00 0.00 H new ATOM 0 HA PHE Y 110 -7.838 25.349 -17.265 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.323 24.376 -15.786 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.438 23.192 -17.074 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.756 21.148 -16.944 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.690 23.699 -13.617 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.969 19.398 -15.381 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -7.902 21.943 -12.054 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.040 19.794 -12.938 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.676 23.131 -16.135 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.439 23.017 -15.316 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.328 23.871 -15.950 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.513 24.441 -15.260 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.002 21.549 -15.289 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.465 21.165 -16.674 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.633 19.673 -16.950 1.00 0.00 C ATOM 3642 CE LYS Y 111 -3.075 19.371 -18.353 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -2.604 17.959 -18.416 1.00 0.00 N ATOM 0 H LYS Y 111 -5.962 22.275 -16.611 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.628 23.367 -14.301 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.233 21.399 -14.531 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -4.843 20.910 -15.020 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -3.989 21.738 -17.439 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.410 21.431 -16.742 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.105 19.087 -16.198 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.685 19.393 -16.892 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -3.846 19.541 -19.105 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -2.252 20.049 -18.581 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.772 17.579 -19.369 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -1.587 17.923 -18.203 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.124 17.388 -17.719 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.278 23.939 -17.263 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.210 24.746 -17.934 1.00 0.00 C ATOM 3659 C THR Y 112 -2.383 26.218 -17.563 1.00 0.00 C ATOM 3660 O THR Y 112 -1.427 26.957 -17.433 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.289 24.587 -19.458 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -3.523 25.105 -19.931 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.176 23.108 -19.833 1.00 0.00 C ATOM 0 H THR Y 112 -3.929 23.472 -17.894 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.236 24.390 -17.599 1.00 0.00 H new ATOM 0 HB THR Y 112 -1.467 25.137 -19.916 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.199 25.035 -19.225 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.233 23.002 -20.916 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.223 22.715 -19.479 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -2.992 22.552 -19.371 1.00 0.00 H new ATOM 3671 N GLU Y 113 -3.601 26.642 -17.387 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.862 28.061 -17.016 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.150 28.392 -15.684 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.000 27.116 -14.822 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.021 27.480 -13.334 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -2.809 28.640 -13.024 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -3.255 26.591 -12.531 1.00 0.00 O ATOM 0 H GLU Y 113 -4.435 26.063 -17.485 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.168 28.820 -15.886 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.719 29.144 -15.137 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -3.808 26.420 -15.045 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -2.066 26.610 -15.067 1.00 0.00 H new