USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 TYR OH : rot -60:sc= 2.06 USER MOD Set 1.2: A 67 SER OG : rot 174:sc= 1.3 USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= -0.111 F(o=-2!,f=-0.22) USER MOD Set 2.2: A 50 MET CE :methyl 161:sc= -0.11 (180deg=-0.687) USER MOD Set 3.1: A 25 GLN : amide:sc= 0.366 X(o=0.71,f=1.1) USER MOD Set 3.2: A 97 CYS SG : rot 124:sc= 0.344 USER MOD Set 4.1: A 5 SER OG : rot -52:sc= 1.27 USER MOD Set 4.2: A 7 SER OG : rot -67:sc= 0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.0759 K(o=0.076,f=-2.5) USER MOD Single : A 18 TYR OH : rot 30:sc= -0.632 USER MOD Single : A 23 THR OG1 : rot -37:sc= 1.3 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.937) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -129:sc= 1.3 USER MOD Single : A 47 THR OG1 : rot 163:sc= -1.62! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.42) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 62 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= -1.51! (180deg=-1.8!) USER MOD Single : A 78 THR OG1 : rot -178:sc= 1.11 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -96:sc= 0.618 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 94 THR OG1 : rot 134:sc= -0.98 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 103 CYS SG : rot -146:sc= -4.04! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 83:sc= 1.3 USER MOD Single : A 115 SER OG : rot 77:sc= 1.04 USER MOD Single : A 119 HIS : no HD1:sc= 0.896 K(o=0.9,f=-5.6!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.909 23.007 -5.670 1.00 0.00 N ATOM 2 CA MET A 1 -9.438 24.362 -5.911 1.00 0.00 C ATOM 3 C MET A 1 -10.959 24.360 -5.955 1.00 0.00 C ATOM 4 O MET A 1 -11.611 25.007 -5.135 1.00 0.00 O ATOM 5 CB MET A 1 -8.878 24.946 -7.216 1.00 0.00 C ATOM 6 CG MET A 1 -9.354 26.365 -7.509 1.00 0.00 C ATOM 7 SD MET A 1 -8.726 27.005 -9.077 1.00 0.00 S ATOM 8 CE MET A 1 -9.460 28.641 -9.085 1.00 0.00 C ATOM 0 H1 MET A 1 -7.870 23.039 -5.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.266 22.652 -4.760 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.217 22.373 -6.434 1.00 0.00 H new ATOM 0 HA MET A 1 -9.117 24.990 -5.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.789 24.941 -7.168 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.164 24.298 -8.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.444 26.381 -7.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.038 27.024 -6.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.166 29.167 -9.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.546 28.553 -9.052 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.115 29.199 -8.215 1.00 0.00 H new ATOM 20 N SER A 2 -11.524 23.630 -6.903 1.00 0.00 N ATOM 21 CA SER A 2 -12.964 23.594 -7.073 1.00 0.00 C ATOM 22 C SER A 2 -13.610 22.542 -6.172 1.00 0.00 C ATOM 23 O SER A 2 -13.652 21.360 -6.519 1.00 0.00 O ATOM 24 CB SER A 2 -13.314 23.332 -8.541 1.00 0.00 C ATOM 25 OG SER A 2 -12.660 24.266 -9.394 1.00 0.00 O ATOM 0 H SER A 2 -11.005 23.054 -7.566 1.00 0.00 H new ATOM 0 HA SER A 2 -13.362 24.566 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.021 22.318 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.393 23.400 -8.680 1.00 0.00 H new ATOM 0 HG SER A 2 -12.896 24.079 -10.326 1.00 0.00 H new ATOM 31 N LEU A 3 -14.101 22.997 -5.011 1.00 0.00 N ATOM 32 CA LEU A 3 -14.801 22.151 -4.029 1.00 0.00 C ATOM 33 C LEU A 3 -13.968 20.933 -3.596 1.00 0.00 C ATOM 34 O LEU A 3 -13.210 20.995 -2.626 1.00 0.00 O ATOM 35 CB LEU A 3 -16.182 21.702 -4.558 1.00 0.00 C ATOM 36 CG LEU A 3 -17.302 22.760 -4.551 1.00 0.00 C ATOM 37 CD1 LEU A 3 -17.036 23.855 -5.575 1.00 0.00 C ATOM 38 CD2 LEU A 3 -18.654 22.108 -4.808 1.00 0.00 C ATOM 0 H LEU A 3 -14.024 23.972 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.951 22.769 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.056 21.347 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.514 20.851 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.318 23.222 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.844 24.586 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.092 24.348 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.981 23.416 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.433 22.870 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -18.641 21.614 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.857 21.373 -4.029 1.00 0.00 H new ATOM 50 N GLY A 4 -14.108 19.840 -4.325 1.00 0.00 N ATOM 51 CA GLY A 4 -13.394 18.629 -4.000 1.00 0.00 C ATOM 52 C GLY A 4 -14.327 17.449 -3.904 1.00 0.00 C ATOM 53 O GLY A 4 -13.903 16.309 -4.065 1.00 0.00 O ATOM 0 H GLY A 4 -14.711 19.771 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.638 18.436 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.869 18.757 -3.054 1.00 0.00 H new ATOM 57 N SER A 5 -15.612 17.748 -3.657 1.00 0.00 N ATOM 58 CA SER A 5 -16.717 16.753 -3.525 1.00 0.00 C ATOM 59 C SER A 5 -16.552 15.813 -2.310 1.00 0.00 C ATOM 60 O SER A 5 -17.489 15.651 -1.514 1.00 0.00 O ATOM 61 CB SER A 5 -16.935 15.933 -4.830 1.00 0.00 C ATOM 62 OG SER A 5 -15.890 14.997 -5.052 1.00 0.00 O ATOM 0 H SER A 5 -15.932 18.709 -3.539 1.00 0.00 H new ATOM 0 HA SER A 5 -17.613 17.347 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.887 15.406 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.999 16.613 -5.679 1.00 0.00 H new ATOM 0 HG SER A 5 -15.025 15.456 -5.010 1.00 0.00 H new ATOM 68 N GLU A 6 -15.368 15.208 -2.182 1.00 0.00 N ATOM 69 CA GLU A 6 -15.061 14.270 -1.118 1.00 0.00 C ATOM 70 C GLU A 6 -15.992 13.047 -1.227 1.00 0.00 C ATOM 71 O GLU A 6 -16.516 12.540 -0.231 1.00 0.00 O ATOM 72 CB GLU A 6 -15.193 14.958 0.248 1.00 0.00 C ATOM 73 CG GLU A 6 -14.611 14.169 1.412 1.00 0.00 C ATOM 74 CD GLU A 6 -14.801 14.864 2.736 1.00 0.00 C ATOM 75 OE1 GLU A 6 -15.845 14.639 3.377 1.00 0.00 O ATOM 76 OE2 GLU A 6 -13.907 15.626 3.148 1.00 0.00 O ATOM 0 H GLU A 6 -14.592 15.363 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.031 13.926 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.699 15.929 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.248 15.146 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.081 13.186 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.547 14.007 1.240 1.00 0.00 H new ATOM 83 N SER A 7 -16.191 12.591 -2.459 1.00 0.00 N ATOM 84 CA SER A 7 -17.018 11.478 -2.737 1.00 0.00 C ATOM 85 C SER A 7 -16.159 10.343 -3.302 1.00 0.00 C ATOM 86 O SER A 7 -14.977 10.226 -2.959 1.00 0.00 O ATOM 87 CB SER A 7 -18.102 11.906 -3.731 1.00 0.00 C ATOM 88 OG SER A 7 -17.535 12.471 -4.913 1.00 0.00 O ATOM 0 H SER A 7 -15.765 13.007 -3.287 1.00 0.00 H new ATOM 0 HA SER A 7 -17.502 11.118 -1.829 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.715 11.044 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.763 12.634 -3.259 1.00 0.00 H new ATOM 0 HG SER A 7 -17.105 13.324 -4.694 1.00 0.00 H new ATOM 94 N GLU A 8 -16.751 9.529 -4.162 1.00 0.00 N ATOM 95 CA GLU A 8 -16.067 8.376 -4.774 1.00 0.00 C ATOM 96 C GLU A 8 -15.496 7.444 -3.712 1.00 0.00 C ATOM 97 O GLU A 8 -14.476 6.783 -3.927 1.00 0.00 O ATOM 98 CB GLU A 8 -14.969 8.861 -5.727 1.00 0.00 C ATOM 99 CG GLU A 8 -15.515 9.597 -6.933 1.00 0.00 C ATOM 100 CD GLU A 8 -16.371 8.704 -7.802 1.00 0.00 C ATOM 101 OE1 GLU A 8 -15.813 7.797 -8.460 1.00 0.00 O ATOM 102 OE2 GLU A 8 -17.608 8.880 -7.805 1.00 0.00 O ATOM 0 H GLU A 8 -17.719 9.640 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.799 7.807 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.289 9.518 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.384 8.005 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.104 10.451 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.687 9.991 -7.523 1.00 0.00 H new ATOM 109 N THR A 9 -16.191 7.376 -2.580 1.00 0.00 N ATOM 110 CA THR A 9 -15.799 6.567 -1.435 1.00 0.00 C ATOM 111 C THR A 9 -14.583 7.169 -0.734 1.00 0.00 C ATOM 112 O THR A 9 -14.692 7.687 0.378 1.00 0.00 O ATOM 113 CB THR A 9 -15.510 5.097 -1.829 1.00 0.00 C ATOM 114 OG1 THR A 9 -16.581 4.590 -2.646 1.00 0.00 O ATOM 115 CG2 THR A 9 -15.367 4.227 -0.590 1.00 0.00 C ATOM 0 H THR A 9 -17.058 7.892 -2.432 1.00 0.00 H new ATOM 0 HA THR A 9 -16.644 6.566 -0.746 1.00 0.00 H new ATOM 0 HB THR A 9 -14.575 5.070 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.392 3.661 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.164 3.199 -0.889 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.543 4.596 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.291 4.262 -0.012 1.00 0.00 H new ATOM 123 N GLY A 10 -13.450 7.122 -1.405 1.00 0.00 N ATOM 124 CA GLY A 10 -12.218 7.641 -0.845 1.00 0.00 C ATOM 125 C GLY A 10 -11.901 7.045 0.513 1.00 0.00 C ATOM 126 O GLY A 10 -11.775 5.822 0.661 1.00 0.00 O ATOM 0 H GLY A 10 -13.357 6.729 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.396 7.434 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.292 8.725 -0.754 1.00 0.00 H new ATOM 130 N ASN A 11 -11.784 7.910 1.504 1.00 0.00 N ATOM 131 CA ASN A 11 -11.494 7.489 2.864 1.00 0.00 C ATOM 132 C ASN A 11 -12.720 7.663 3.751 1.00 0.00 C ATOM 133 O ASN A 11 -12.627 7.593 4.976 1.00 0.00 O ATOM 134 CB ASN A 11 -10.301 8.276 3.435 1.00 0.00 C ATOM 135 CG ASN A 11 -10.541 9.776 3.461 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.097 10.314 4.413 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.107 10.465 2.420 1.00 0.00 N ATOM 0 H ASN A 11 -11.886 8.919 1.391 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.229 6.432 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.094 7.929 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.414 8.065 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.230 11.477 2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.649 9.985 1.646 1.00 0.00 H new ATOM 144 N ALA A 12 -13.869 7.880 3.127 1.00 0.00 N ATOM 145 CA ALA A 12 -15.105 8.063 3.857 1.00 0.00 C ATOM 146 C ALA A 12 -15.798 6.722 4.059 1.00 0.00 C ATOM 147 O ALA A 12 -15.965 5.943 3.109 1.00 0.00 O ATOM 148 CB ALA A 12 -16.013 9.037 3.126 1.00 0.00 C ATOM 0 H ALA A 12 -13.966 7.933 2.113 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.877 8.483 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.938 9.164 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.512 10.000 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.241 8.647 2.134 1.00 0.00 H new ATOM 154 N VAL A 13 -16.198 6.458 5.286 1.00 0.00 N ATOM 155 CA VAL A 13 -16.829 5.197 5.636 1.00 0.00 C ATOM 156 C VAL A 13 -18.107 5.420 6.425 1.00 0.00 C ATOM 157 O VAL A 13 -18.334 6.504 6.984 1.00 0.00 O ATOM 158 CB VAL A 13 -15.879 4.297 6.465 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.677 3.873 5.639 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.427 5.019 7.732 1.00 0.00 C ATOM 0 H VAL A 13 -16.097 7.106 6.067 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.066 4.697 4.697 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.428 3.400 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.025 3.242 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.014 3.315 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.128 4.757 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.760 4.371 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.900 5.934 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.297 5.268 8.339 1.00 0.00 H new ATOM 170 N VAL A 14 -18.943 4.403 6.448 1.00 0.00 N ATOM 171 CA VAL A 14 -20.179 4.441 7.194 1.00 0.00 C ATOM 172 C VAL A 14 -20.067 3.519 8.391 1.00 0.00 C ATOM 173 O VAL A 14 -19.972 2.297 8.238 1.00 0.00 O ATOM 174 CB VAL A 14 -21.387 4.000 6.330 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.691 4.118 7.114 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.457 4.809 5.046 1.00 0.00 C ATOM 0 H VAL A 14 -18.783 3.528 5.949 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.347 5.470 7.512 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.245 2.952 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.523 3.803 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.643 3.482 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.839 5.154 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.313 4.482 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.566 5.866 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.542 4.660 4.472 1.00 0.00 H new ATOM 186 N VAL A 15 -20.067 4.096 9.566 1.00 0.00 N ATOM 187 CA VAL A 15 -19.956 3.318 10.780 1.00 0.00 C ATOM 188 C VAL A 15 -21.333 3.129 11.402 1.00 0.00 C ATOM 189 O VAL A 15 -22.090 4.097 11.563 1.00 0.00 O ATOM 190 CB VAL A 15 -19.013 3.988 11.812 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.753 3.055 12.995 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.700 4.397 11.163 1.00 0.00 C ATOM 0 H VAL A 15 -20.143 5.103 9.711 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.530 2.351 10.512 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.507 4.886 12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.089 3.546 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.697 2.817 13.485 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.287 2.136 12.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.056 4.865 11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.204 3.515 10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.897 5.105 10.358 1.00 0.00 H new ATOM 202 N PHE A 16 -21.663 1.891 11.735 1.00 0.00 N ATOM 203 CA PHE A 16 -22.939 1.573 12.343 1.00 0.00 C ATOM 204 C PHE A 16 -22.794 0.393 13.300 1.00 0.00 C ATOM 205 O PHE A 16 -21.739 -0.240 13.362 1.00 0.00 O ATOM 206 CB PHE A 16 -23.999 1.270 11.266 1.00 0.00 C ATOM 207 CG PHE A 16 -23.639 0.143 10.330 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.959 -1.168 10.645 1.00 0.00 C ATOM 209 CD2 PHE A 16 -22.986 0.399 9.133 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.635 -2.201 9.788 1.00 0.00 C ATOM 211 CE2 PHE A 16 -22.659 -0.628 8.271 1.00 0.00 C ATOM 212 CZ PHE A 16 -22.983 -1.932 8.599 1.00 0.00 C ATOM 0 H PHE A 16 -21.055 1.084 11.591 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.272 2.441 12.912 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -24.940 1.028 11.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.169 2.172 10.679 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.468 -1.384 11.572 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.730 1.415 8.872 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.891 -3.218 10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.151 -0.414 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.727 -2.738 7.928 1.00 0.00 H new ATOM 222 N GLY A 17 -23.851 0.105 14.043 1.00 0.00 N ATOM 223 CA GLY A 17 -23.813 -1.003 14.985 1.00 0.00 C ATOM 224 C GLY A 17 -23.555 -0.536 16.398 1.00 0.00 C ATOM 225 O GLY A 17 -23.466 -1.336 17.323 1.00 0.00 O ATOM 0 H GLY A 17 -24.734 0.615 14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.760 -1.542 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.034 -1.705 14.687 1.00 0.00 H new ATOM 229 N TYR A 18 -23.454 0.765 16.560 1.00 0.00 N ATOM 230 CA TYR A 18 -23.222 1.367 17.854 1.00 0.00 C ATOM 231 C TYR A 18 -24.402 2.241 18.206 1.00 0.00 C ATOM 232 O TYR A 18 -25.137 2.666 17.324 1.00 0.00 O ATOM 233 CB TYR A 18 -21.943 2.215 17.822 1.00 0.00 C ATOM 234 CG TYR A 18 -21.996 3.358 16.832 1.00 0.00 C ATOM 235 CD1 TYR A 18 -21.616 3.172 15.513 1.00 0.00 C ATOM 236 CD2 TYR A 18 -22.449 4.614 17.213 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.678 4.204 14.607 1.00 0.00 C ATOM 238 CE2 TYR A 18 -22.520 5.648 16.305 1.00 0.00 C ATOM 239 CZ TYR A 18 -22.133 5.436 15.004 1.00 0.00 C ATOM 240 OH TYR A 18 -22.207 6.458 14.095 1.00 0.00 O ATOM 0 H TYR A 18 -23.531 1.437 15.796 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.103 0.583 18.602 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -21.759 2.617 18.818 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.098 1.572 17.577 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -21.266 2.202 15.192 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.750 4.783 18.236 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.369 4.045 13.584 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -22.878 6.619 16.614 1.00 0.00 H new ATOM 0 HH TYR A 18 -22.375 6.090 13.202 1.00 0.00 H new ATOM 250 N ARG A 19 -24.593 2.507 19.473 1.00 0.00 N ATOM 251 CA ARG A 19 -25.692 3.343 19.888 1.00 0.00 C ATOM 252 C ARG A 19 -25.169 4.503 20.726 1.00 0.00 C ATOM 253 O ARG A 19 -24.131 4.386 21.362 1.00 0.00 O ATOM 254 CB ARG A 19 -26.753 2.514 20.626 1.00 0.00 C ATOM 255 CG ARG A 19 -28.014 3.292 20.976 1.00 0.00 C ATOM 256 CD ARG A 19 -29.113 2.373 21.479 1.00 0.00 C ATOM 257 NE ARG A 19 -28.756 1.683 22.721 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.518 0.752 23.302 1.00 0.00 C ATOM 259 NH1 ARG A 19 -30.651 0.362 22.723 1.00 0.00 N ATOM 260 NH2 ARG A 19 -29.141 0.205 24.455 1.00 0.00 N ATOM 0 H ARG A 19 -24.006 2.160 20.232 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.181 3.766 19.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.026 1.659 20.008 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.317 2.118 21.543 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.784 4.037 21.738 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.365 3.833 20.097 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -30.020 2.955 21.641 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.341 1.634 20.711 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.873 1.928 23.169 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.938 0.774 21.835 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -31.232 -0.349 23.167 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.269 0.496 24.897 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -29.724 -0.506 24.897 1.00 0.00 H new ATOM 274 N GLU A 20 -25.905 5.608 20.722 1.00 0.00 N ATOM 275 CA GLU A 20 -25.491 6.863 21.372 1.00 0.00 C ATOM 276 C GLU A 20 -25.024 6.667 22.832 1.00 0.00 C ATOM 277 O GLU A 20 -24.125 7.364 23.290 1.00 0.00 O ATOM 278 CB GLU A 20 -26.649 7.868 21.306 1.00 0.00 C ATOM 279 CG GLU A 20 -26.298 9.276 21.775 1.00 0.00 C ATOM 280 CD GLU A 20 -27.471 10.237 21.673 1.00 0.00 C ATOM 281 OE1 GLU A 20 -27.669 10.828 20.600 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.217 10.388 22.664 1.00 0.00 O ATOM 0 H GLU A 20 -26.815 5.667 20.266 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.626 7.245 20.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.008 7.921 20.278 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.473 7.492 21.913 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.956 9.235 22.809 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.469 9.657 21.179 1.00 0.00 H new ATOM 289 N ALA A 21 -25.615 5.705 23.527 1.00 0.00 N ATOM 290 CA ALA A 21 -25.303 5.443 24.939 1.00 0.00 C ATOM 291 C ALA A 21 -23.818 5.098 25.185 1.00 0.00 C ATOM 292 O ALA A 21 -23.307 5.313 26.284 1.00 0.00 O ATOM 293 CB ALA A 21 -26.190 4.336 25.480 1.00 0.00 C ATOM 0 H ALA A 21 -26.322 5.082 23.137 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.501 6.372 25.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.947 4.154 26.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.235 4.634 25.397 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.026 3.425 24.905 1.00 0.00 H new ATOM 299 N ILE A 22 -23.127 4.573 24.174 1.00 0.00 N ATOM 300 CA ILE A 22 -21.714 4.189 24.341 1.00 0.00 C ATOM 301 C ILE A 22 -20.785 5.369 24.038 1.00 0.00 C ATOM 302 O ILE A 22 -19.645 5.167 23.605 1.00 0.00 O ATOM 303 CB ILE A 22 -21.313 3.012 23.412 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.376 3.437 21.927 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.208 1.795 23.668 1.00 0.00 C ATOM 306 CD1 ILE A 22 -20.654 2.494 20.992 1.00 0.00 C ATOM 0 H ILE A 22 -23.509 4.403 23.243 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.607 3.878 25.380 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.284 2.734 23.639 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.420 3.507 21.623 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -20.947 4.434 21.825 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -21.912 0.980 23.007 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.103 1.478 24.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.247 2.060 23.473 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -20.742 2.858 19.968 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.601 2.442 21.269 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.097 1.501 21.063 1.00 0.00 H new ATOM 318 N THR A 23 -21.269 6.580 24.307 1.00 0.00 N ATOM 319 CA THR A 23 -20.564 7.818 23.967 1.00 0.00 C ATOM 320 C THR A 23 -19.070 7.768 24.298 1.00 0.00 C ATOM 321 O THR A 23 -18.242 7.638 23.405 1.00 0.00 O ATOM 322 CB THR A 23 -21.187 9.022 24.698 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.606 8.854 24.790 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.881 10.315 23.961 1.00 0.00 C ATOM 0 H THR A 23 -22.165 6.733 24.769 1.00 0.00 H new ATOM 0 HA THR A 23 -20.669 7.930 22.888 1.00 0.00 H new ATOM 0 HB THR A 23 -20.757 9.076 25.698 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.940 8.437 23.969 1.00 0.00 H new ATOM 0 HG21 THR A 23 -21.330 11.153 24.494 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.802 10.456 23.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 -21.291 10.265 22.952 1.00 0.00 H new ATOM 332 N LYS A 24 -18.744 7.843 25.579 1.00 0.00 N ATOM 333 CA LYS A 24 -17.375 7.864 26.035 1.00 0.00 C ATOM 334 C LYS A 24 -16.605 6.610 25.653 1.00 0.00 C ATOM 335 O LYS A 24 -15.439 6.693 25.263 1.00 0.00 O ATOM 336 CB LYS A 24 -17.359 8.047 27.538 1.00 0.00 C ATOM 337 CG LYS A 24 -18.015 9.333 27.977 1.00 0.00 C ATOM 338 CD LYS A 24 -17.366 10.499 27.296 1.00 0.00 C ATOM 339 CE LYS A 24 -17.725 11.813 27.959 1.00 0.00 C ATOM 340 NZ LYS A 24 -19.123 12.205 27.671 1.00 0.00 N ATOM 0 H LYS A 24 -19.431 7.891 26.331 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.874 8.697 25.542 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -17.869 7.206 28.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.328 8.032 27.890 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.078 9.308 27.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.933 9.442 29.058 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.284 10.370 27.308 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.672 10.525 26.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.585 11.728 29.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.049 12.594 27.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.432 12.919 28.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.182 12.602 26.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.739 11.370 27.738 1.00 0.00 H new ATOM 354 N GLN A 25 -17.254 5.460 25.756 1.00 0.00 N ATOM 355 CA GLN A 25 -16.604 4.186 25.476 1.00 0.00 C ATOM 356 C GLN A 25 -15.927 4.178 24.105 1.00 0.00 C ATOM 357 O GLN A 25 -14.703 4.078 24.007 1.00 0.00 O ATOM 358 CB GLN A 25 -17.601 3.028 25.565 1.00 0.00 C ATOM 359 CG GLN A 25 -18.139 2.777 26.960 1.00 0.00 C ATOM 360 CD GLN A 25 -19.103 1.605 27.013 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.044 0.693 26.187 1.00 0.00 O ATOM 362 NE2 GLN A 25 -19.987 1.615 27.986 1.00 0.00 N ATOM 0 H GLN A 25 -18.233 5.382 26.032 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.834 4.054 26.236 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.437 3.231 24.896 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.118 2.119 25.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.306 2.589 27.638 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.644 3.674 27.317 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.005 2.388 28.651 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.655 0.850 28.076 1.00 0.00 H new ATOM 371 N ILE A 26 -16.724 4.279 23.057 1.00 0.00 N ATOM 372 CA ILE A 26 -16.208 4.232 21.716 1.00 0.00 C ATOM 373 C ILE A 26 -15.461 5.529 21.335 1.00 0.00 C ATOM 374 O ILE A 26 -14.549 5.505 20.497 1.00 0.00 O ATOM 375 CB ILE A 26 -17.325 3.896 20.697 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.734 3.209 19.490 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.098 5.139 20.275 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.768 2.582 18.584 1.00 0.00 C ATOM 0 H ILE A 26 -17.736 4.395 23.118 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.475 3.426 21.681 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.030 3.223 21.185 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.153 3.933 18.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.041 2.437 19.825 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.872 4.861 19.560 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.560 5.595 21.151 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.416 5.852 19.812 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.271 2.107 17.738 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.333 1.834 19.140 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.447 3.352 18.219 1.00 0.00 H new ATOM 390 N LEU A 27 -15.839 6.652 21.966 1.00 0.00 N ATOM 391 CA LEU A 27 -15.206 7.943 21.686 1.00 0.00 C ATOM 392 C LEU A 27 -13.723 7.900 22.032 1.00 0.00 C ATOM 393 O LEU A 27 -12.887 8.308 21.242 1.00 0.00 O ATOM 394 CB LEU A 27 -15.883 9.062 22.499 1.00 0.00 C ATOM 395 CG LEU A 27 -15.298 10.470 22.332 1.00 0.00 C ATOM 396 CD1 LEU A 27 -15.628 11.032 20.962 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.775 11.401 23.445 1.00 0.00 C ATOM 0 H LEU A 27 -16.577 6.689 22.670 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.320 8.149 20.622 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.937 9.095 22.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.836 8.795 23.555 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.213 10.396 22.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.203 12.031 20.867 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.209 10.384 20.192 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.710 11.085 20.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.344 12.392 23.300 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.862 11.471 23.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.459 11.006 24.410 1.00 0.00 H new ATOM 409 N ALA A 28 -13.408 7.356 23.195 1.00 0.00 N ATOM 410 CA ALA A 28 -12.030 7.289 23.670 1.00 0.00 C ATOM 411 C ALA A 28 -11.141 6.474 22.735 1.00 0.00 C ATOM 412 O ALA A 28 -9.931 6.694 22.669 1.00 0.00 O ATOM 413 CB ALA A 28 -11.994 6.702 25.071 1.00 0.00 C ATOM 0 H ALA A 28 -14.091 6.950 23.835 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.637 8.305 23.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.962 6.655 25.419 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.576 7.331 25.744 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.418 5.698 25.056 1.00 0.00 H new ATOM 419 N TYR A 29 -11.734 5.537 22.020 1.00 0.00 N ATOM 420 CA TYR A 29 -10.967 4.666 21.148 1.00 0.00 C ATOM 421 C TYR A 29 -10.852 5.208 19.710 1.00 0.00 C ATOM 422 O TYR A 29 -9.756 5.273 19.157 1.00 0.00 O ATOM 423 CB TYR A 29 -11.576 3.255 21.139 1.00 0.00 C ATOM 424 CG TYR A 29 -10.753 2.228 20.382 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.719 1.542 21.005 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.009 1.950 19.043 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.965 0.609 20.317 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.261 1.023 18.350 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.240 0.354 18.991 1.00 0.00 C ATOM 430 OH TYR A 29 -8.487 -0.577 18.304 1.00 0.00 O ATOM 0 H TYR A 29 -12.738 5.359 22.025 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.955 4.626 21.551 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.700 2.918 22.168 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.571 3.304 20.698 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.500 1.740 22.044 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.809 2.470 18.537 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.165 0.083 20.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.473 0.822 17.310 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.808 -0.640 17.380 1.00 0.00 H new ATOM 440 N PHE A 30 -11.971 5.605 19.119 1.00 0.00 N ATOM 441 CA PHE A 30 -11.979 6.000 17.703 1.00 0.00 C ATOM 442 C PHE A 30 -11.728 7.491 17.466 1.00 0.00 C ATOM 443 O PHE A 30 -11.320 7.878 16.369 1.00 0.00 O ATOM 444 CB PHE A 30 -13.288 5.585 17.034 1.00 0.00 C ATOM 445 CG PHE A 30 -13.413 4.114 16.768 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.883 3.256 17.743 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.072 3.592 15.528 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.015 1.906 17.495 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.198 2.241 15.273 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.671 1.396 16.260 1.00 0.00 C ATOM 0 H PHE A 30 -12.877 5.664 19.584 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.140 5.471 17.251 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.119 5.899 17.665 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.385 6.121 16.090 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.151 3.648 18.713 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.704 4.250 14.754 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.387 1.249 18.267 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.928 1.845 14.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.771 0.339 16.065 1.00 0.00 H new ATOM 460 N ALA A 31 -11.932 8.328 18.486 1.00 0.00 N ATOM 461 CA ALA A 31 -11.768 9.787 18.314 1.00 0.00 C ATOM 462 C ALA A 31 -10.328 10.167 18.011 1.00 0.00 C ATOM 463 O ALA A 31 -10.048 11.292 17.627 1.00 0.00 O ATOM 464 CB ALA A 31 -12.265 10.544 19.526 1.00 0.00 C ATOM 0 H ALA A 31 -12.206 8.036 19.424 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.376 10.070 17.455 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.130 11.614 19.367 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.323 10.330 19.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.701 10.234 20.405 1.00 0.00 H new ATOM 470 N GLN A 32 -9.427 9.218 18.190 1.00 0.00 N ATOM 471 CA GLN A 32 -8.026 9.428 17.903 1.00 0.00 C ATOM 472 C GLN A 32 -7.811 9.691 16.415 1.00 0.00 C ATOM 473 O GLN A 32 -6.877 10.386 16.031 1.00 0.00 O ATOM 474 CB GLN A 32 -7.207 8.229 18.346 1.00 0.00 C ATOM 475 CG GLN A 32 -7.276 7.972 19.836 1.00 0.00 C ATOM 476 CD GLN A 32 -6.245 6.976 20.295 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.107 6.972 19.634 1.00 0.00 O flip ATOM 478 NE2 GLN A 32 -6.461 6.225 21.247 1.00 0.00 N flip ATOM 0 H GLN A 32 -9.648 8.285 18.537 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.694 10.304 18.460 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.557 7.343 17.815 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.167 8.383 18.059 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.133 8.911 20.371 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.270 7.606 20.093 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.358 6.261 21.732 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.743 5.567 21.551 1.00 0.00 H new ATOM 487 N PHE A 33 -8.672 9.111 15.578 1.00 0.00 N ATOM 488 CA PHE A 33 -8.567 9.293 14.136 1.00 0.00 C ATOM 489 C PHE A 33 -9.852 9.856 13.538 1.00 0.00 C ATOM 490 O PHE A 33 -9.871 10.278 12.383 1.00 0.00 O ATOM 491 CB PHE A 33 -8.213 7.975 13.452 1.00 0.00 C ATOM 492 CG PHE A 33 -6.848 7.465 13.805 1.00 0.00 C ATOM 493 CD1 PHE A 33 -5.729 7.936 13.142 1.00 0.00 C ATOM 494 CD2 PHE A 33 -6.684 6.522 14.803 1.00 0.00 C ATOM 495 CE1 PHE A 33 -4.471 7.475 13.464 1.00 0.00 C ATOM 496 CE2 PHE A 33 -5.428 6.057 15.133 1.00 0.00 C ATOM 497 CZ PHE A 33 -4.318 6.535 14.462 1.00 0.00 C ATOM 0 H PHE A 33 -9.445 8.515 15.875 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.770 10.016 13.962 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.954 7.223 13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.274 8.108 12.372 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.843 8.674 12.362 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.548 6.146 15.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.606 7.849 12.936 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.312 5.321 15.914 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.333 6.173 14.719 1.00 0.00 H new ATOM 507 N GLY A 34 -10.919 9.848 14.314 1.00 0.00 N ATOM 508 CA GLY A 34 -12.179 10.369 13.834 1.00 0.00 C ATOM 509 C GLY A 34 -13.218 10.421 14.923 1.00 0.00 C ATOM 510 O GLY A 34 -13.606 9.391 15.471 1.00 0.00 O ATOM 0 H GLY A 34 -10.937 9.490 15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.027 11.370 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.541 9.746 13.016 1.00 0.00 H new ATOM 514 N GLU A 35 -13.659 11.613 15.240 1.00 0.00 N ATOM 515 CA GLU A 35 -14.651 11.819 16.278 1.00 0.00 C ATOM 516 C GLU A 35 -16.034 11.366 15.798 1.00 0.00 C ATOM 517 O GLU A 35 -16.558 11.874 14.808 1.00 0.00 O ATOM 518 CB GLU A 35 -14.649 13.289 16.683 1.00 0.00 C ATOM 519 CG GLU A 35 -13.327 13.718 17.307 1.00 0.00 C ATOM 520 CD GLU A 35 -13.223 15.210 17.531 1.00 0.00 C ATOM 521 OE1 GLU A 35 -12.826 15.926 16.580 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.501 15.667 18.660 1.00 0.00 O ATOM 0 H GLU A 35 -13.343 12.471 14.788 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.402 11.216 17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.851 13.905 15.806 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.457 13.469 17.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.201 13.206 18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.509 13.397 16.662 1.00 0.00 H new ATOM 529 N ILE A 36 -16.608 10.399 16.503 1.00 0.00 N ATOM 530 CA ILE A 36 -17.907 9.843 16.136 1.00 0.00 C ATOM 531 C ILE A 36 -18.967 10.313 17.127 1.00 0.00 C ATOM 532 O ILE A 36 -18.633 10.802 18.205 1.00 0.00 O ATOM 533 CB ILE A 36 -17.880 8.279 16.128 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.575 7.767 15.510 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.074 7.722 15.356 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.418 6.263 15.563 1.00 0.00 C ATOM 0 H ILE A 36 -16.193 9.981 17.336 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.145 10.192 15.131 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.940 7.935 17.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.526 8.091 14.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.734 8.228 16.028 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.036 6.633 15.363 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.999 8.056 15.826 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.041 8.080 14.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.470 5.980 15.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.434 5.932 16.601 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.237 5.792 15.020 1.00 0.00 H new ATOM 548 N LEU A 37 -20.239 10.158 16.748 1.00 0.00 N ATOM 549 CA LEU A 37 -21.374 10.538 17.584 1.00 0.00 C ATOM 550 C LEU A 37 -21.520 12.056 17.677 1.00 0.00 C ATOM 551 O LEU A 37 -21.907 12.704 16.706 1.00 0.00 O ATOM 552 CB LEU A 37 -21.275 9.910 18.985 1.00 0.00 C ATOM 553 CG LEU A 37 -21.439 8.393 19.052 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.013 7.895 20.404 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.883 8.001 18.793 1.00 0.00 C ATOM 0 H LEU A 37 -20.508 9.763 15.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.271 10.147 17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.306 10.170 19.410 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.034 10.366 19.620 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.812 7.941 18.284 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.132 6.812 20.447 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.967 8.152 20.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.630 8.359 21.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.981 6.917 18.845 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.525 8.459 19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -23.181 8.345 17.803 1.00 0.00 H new ATOM 567 N GLU A 38 -21.182 12.605 18.840 1.00 0.00 N ATOM 568 CA GLU A 38 -21.293 14.039 19.135 1.00 0.00 C ATOM 569 C GLU A 38 -20.473 14.360 20.371 1.00 0.00 C ATOM 570 O GLU A 38 -19.450 15.036 20.305 1.00 0.00 O ATOM 571 CB GLU A 38 -22.764 14.435 19.412 1.00 0.00 C ATOM 572 CG GLU A 38 -23.661 14.487 18.189 1.00 0.00 C ATOM 573 CD GLU A 38 -25.112 14.721 18.537 1.00 0.00 C ATOM 574 OE1 GLU A 38 -25.417 15.709 19.233 1.00 0.00 O ATOM 575 OE2 GLU A 38 -25.960 13.909 18.114 1.00 0.00 O ATOM 0 H GLU A 38 -20.816 12.060 19.621 1.00 0.00 H new ATOM 0 HA GLU A 38 -20.929 14.595 18.271 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -23.187 13.725 20.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -22.776 15.413 19.893 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -23.318 15.282 17.526 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.571 13.551 17.638 1.00 0.00 H new ATOM 582 N ASP A 39 -20.950 13.832 21.497 1.00 0.00 N ATOM 583 CA ASP A 39 -20.361 14.023 22.812 1.00 0.00 C ATOM 584 C ASP A 39 -20.391 15.504 23.232 1.00 0.00 C ATOM 585 O ASP A 39 -21.056 16.324 22.596 1.00 0.00 O ATOM 586 CB ASP A 39 -18.952 13.420 22.902 1.00 0.00 C ATOM 587 CG ASP A 39 -18.478 13.296 24.345 1.00 0.00 C ATOM 588 OD1 ASP A 39 -19.006 12.439 25.075 1.00 0.00 O ATOM 589 OD2 ASP A 39 -17.623 14.083 24.762 1.00 0.00 O ATOM 0 H ASP A 39 -21.782 13.242 21.515 1.00 0.00 H new ATOM 0 HA ASP A 39 -20.976 13.477 23.527 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.947 12.436 22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.254 14.043 22.343 1.00 0.00 H new ATOM 594 N LEU A 40 -19.699 15.828 24.313 1.00 0.00 N ATOM 595 CA LEU A 40 -19.750 17.160 24.894 1.00 0.00 C ATOM 596 C LEU A 40 -18.546 17.427 25.814 1.00 0.00 C ATOM 597 O LEU A 40 -18.460 18.494 26.438 1.00 0.00 O ATOM 598 CB LEU A 40 -21.024 17.275 25.726 1.00 0.00 C ATOM 599 CG LEU A 40 -21.259 16.101 26.699 1.00 0.00 C ATOM 600 CD1 LEU A 40 -21.829 16.595 28.007 1.00 0.00 C ATOM 601 CD2 LEU A 40 -22.198 15.065 26.085 1.00 0.00 C ATOM 0 H LEU A 40 -19.089 15.179 24.810 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.731 17.888 24.083 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -20.988 18.203 26.297 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.878 17.349 25.052 1.00 0.00 H new ATOM 0 HG LEU A 40 -20.294 15.631 26.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.987 15.750 28.677 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -21.132 17.297 28.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -22.780 17.095 27.824 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -22.348 14.247 26.790 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.157 15.531 25.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -21.760 14.676 25.166 1.00 0.00 H new ATOM 613 N GLU A 41 -17.627 16.481 25.886 1.00 0.00 N ATOM 614 CA GLU A 41 -16.534 16.550 26.838 1.00 0.00 C ATOM 615 C GLU A 41 -15.197 16.264 26.164 1.00 0.00 C ATOM 616 O GLU A 41 -15.140 15.683 25.077 1.00 0.00 O ATOM 617 CB GLU A 41 -16.804 15.514 27.953 1.00 0.00 C ATOM 618 CG GLU A 41 -15.731 15.411 29.019 1.00 0.00 C ATOM 619 CD GLU A 41 -15.603 16.663 29.836 1.00 0.00 C ATOM 620 OE1 GLU A 41 -14.838 17.562 29.429 1.00 0.00 O ATOM 621 OE2 GLU A 41 -16.262 16.757 30.894 1.00 0.00 O ATOM 0 H GLU A 41 -17.617 15.651 25.293 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.478 17.555 27.256 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.749 15.763 28.436 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.930 14.534 27.492 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.959 14.574 29.678 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.774 15.192 28.545 1.00 0.00 H new ATOM 628 N SER A 42 -14.127 16.699 26.796 1.00 0.00 N ATOM 629 CA SER A 42 -12.810 16.406 26.314 1.00 0.00 C ATOM 630 C SER A 42 -12.329 15.094 26.898 1.00 0.00 C ATOM 631 O SER A 42 -11.758 15.057 27.989 1.00 0.00 O ATOM 632 CB SER A 42 -11.828 17.528 26.643 1.00 0.00 C ATOM 633 OG SER A 42 -12.126 18.696 25.897 1.00 0.00 O ATOM 0 H SER A 42 -14.153 17.259 27.648 1.00 0.00 H new ATOM 0 HA SER A 42 -12.858 16.321 25.228 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.869 17.752 27.709 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.811 17.202 26.425 1.00 0.00 H new ATOM 0 HG SER A 42 -11.315 19.012 25.446 1.00 0.00 H new ATOM 639 N GLU A 43 -12.592 14.012 26.180 1.00 0.00 N ATOM 640 CA GLU A 43 -12.167 12.698 26.608 1.00 0.00 C ATOM 641 C GLU A 43 -10.665 12.671 26.703 1.00 0.00 C ATOM 642 O GLU A 43 -10.089 12.249 27.700 1.00 0.00 O ATOM 643 CB GLU A 43 -12.617 11.656 25.607 1.00 0.00 C ATOM 644 CG GLU A 43 -12.416 10.237 26.097 1.00 0.00 C ATOM 645 CD GLU A 43 -13.199 9.929 27.365 1.00 0.00 C ATOM 646 OE1 GLU A 43 -12.770 10.357 28.460 1.00 0.00 O ATOM 647 OE2 GLU A 43 -14.235 9.263 27.278 1.00 0.00 O ATOM 0 H GLU A 43 -13.100 14.024 25.296 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.609 12.478 27.580 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.672 11.810 25.380 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.068 11.794 24.676 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.717 9.542 25.313 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.355 10.069 26.282 1.00 0.00 H new ATOM 654 N LEU A 44 -10.041 13.149 25.659 1.00 0.00 N ATOM 655 CA LEU A 44 -8.624 13.245 25.621 1.00 0.00 C ATOM 656 C LEU A 44 -8.243 14.600 26.197 1.00 0.00 C ATOM 657 O LEU A 44 -8.441 15.628 25.551 1.00 0.00 O ATOM 658 CB LEU A 44 -8.145 13.117 24.180 1.00 0.00 C ATOM 659 CG LEU A 44 -8.637 11.873 23.423 1.00 0.00 C ATOM 660 CD1 LEU A 44 -8.134 11.884 21.994 1.00 0.00 C ATOM 661 CD2 LEU A 44 -8.217 10.589 24.133 1.00 0.00 C ATOM 0 H LEU A 44 -10.510 13.480 24.816 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.158 12.449 26.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.463 14.003 23.631 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.055 13.114 24.178 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.726 11.902 23.406 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.493 10.995 21.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.502 12.775 21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.044 11.890 21.992 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.580 9.728 23.572 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.130 10.548 24.197 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.641 10.573 25.137 1.00 0.00 H new ATOM 673 N GLY A 45 -7.741 14.597 27.414 1.00 0.00 N ATOM 674 CA GLY A 45 -7.439 15.839 28.089 1.00 0.00 C ATOM 675 C GLY A 45 -6.094 16.416 27.724 1.00 0.00 C ATOM 676 O GLY A 45 -6.012 17.480 27.100 1.00 0.00 O ATOM 0 H GLY A 45 -7.535 13.755 27.952 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.214 16.568 27.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.474 15.675 29.166 1.00 0.00 H new ATOM 680 N ASP A 46 -5.043 15.713 28.103 1.00 0.00 N ATOM 681 CA ASP A 46 -3.674 16.170 27.873 1.00 0.00 C ATOM 682 C ASP A 46 -3.346 16.251 26.399 1.00 0.00 C ATOM 683 O ASP A 46 -2.590 17.122 25.972 1.00 0.00 O ATOM 684 CB ASP A 46 -2.670 15.281 28.600 1.00 0.00 C ATOM 685 CG ASP A 46 -2.745 15.446 30.100 1.00 0.00 C ATOM 686 OD1 ASP A 46 -2.192 16.432 30.619 1.00 0.00 O ATOM 687 OD2 ASP A 46 -3.365 14.595 30.770 1.00 0.00 O ATOM 0 H ASP A 46 -5.107 14.812 28.577 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.600 17.178 28.281 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.856 14.239 28.341 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.662 15.520 28.260 1.00 0.00 H new ATOM 692 N THR A 47 -3.885 15.337 25.624 1.00 0.00 N ATOM 693 CA THR A 47 -3.675 15.361 24.200 1.00 0.00 C ATOM 694 C THR A 47 -4.649 16.320 23.536 1.00 0.00 C ATOM 695 O THR A 47 -4.316 17.480 23.304 1.00 0.00 O ATOM 696 CB THR A 47 -3.802 13.958 23.585 1.00 0.00 C ATOM 697 OG1 THR A 47 -4.994 13.321 24.061 1.00 0.00 O ATOM 698 CG2 THR A 47 -2.600 13.121 23.950 1.00 0.00 C ATOM 0 H THR A 47 -4.470 14.571 25.958 1.00 0.00 H new ATOM 0 HA THR A 47 -2.658 15.710 24.022 1.00 0.00 H new ATOM 0 HB THR A 47 -3.854 14.054 22.501 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.216 12.565 23.478 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.700 12.129 23.509 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.696 13.597 23.570 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.535 13.031 25.034 1.00 0.00 H new ATOM 706 N GLU A 48 -5.861 15.826 23.255 1.00 0.00 N ATOM 707 CA GLU A 48 -6.940 16.602 22.641 1.00 0.00 C ATOM 708 C GLU A 48 -6.622 17.021 21.193 1.00 0.00 C ATOM 709 O GLU A 48 -7.502 17.011 20.341 1.00 0.00 O ATOM 710 CB GLU A 48 -7.298 17.812 23.500 1.00 0.00 C ATOM 711 CG GLU A 48 -8.478 18.608 22.960 1.00 0.00 C ATOM 712 CD GLU A 48 -8.902 19.738 23.870 1.00 0.00 C ATOM 713 OE1 GLU A 48 -8.306 20.825 23.796 1.00 0.00 O ATOM 714 OE2 GLU A 48 -9.857 19.545 24.655 1.00 0.00 O ATOM 0 H GLU A 48 -6.121 14.860 23.452 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.809 15.946 22.589 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.528 17.475 24.511 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.430 18.467 23.572 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.216 19.016 21.983 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.323 17.936 22.809 1.00 0.00 H new ATOM 721 N THR A 49 -5.371 17.377 20.928 1.00 0.00 N ATOM 722 CA THR A 49 -4.941 17.748 19.596 1.00 0.00 C ATOM 723 C THR A 49 -5.035 16.545 18.667 1.00 0.00 C ATOM 724 O THR A 49 -5.230 16.684 17.453 1.00 0.00 O ATOM 725 CB THR A 49 -3.495 18.283 19.609 1.00 0.00 C ATOM 726 OG1 THR A 49 -2.611 17.292 20.157 1.00 0.00 O ATOM 727 CG2 THR A 49 -3.404 19.549 20.447 1.00 0.00 C ATOM 0 H THR A 49 -4.633 17.415 21.631 1.00 0.00 H new ATOM 0 HA THR A 49 -5.597 18.540 19.235 1.00 0.00 H new ATOM 0 HB THR A 49 -3.203 18.510 18.584 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.694 17.638 20.161 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.377 19.913 20.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.060 20.311 20.027 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.710 19.331 21.470 1.00 0.00 H new ATOM 735 N MET A 50 -4.898 15.366 19.251 1.00 0.00 N ATOM 736 CA MET A 50 -4.990 14.134 18.506 1.00 0.00 C ATOM 737 C MET A 50 -6.441 13.668 18.418 1.00 0.00 C ATOM 738 O MET A 50 -6.873 12.779 19.155 1.00 0.00 O ATOM 739 CB MET A 50 -4.127 13.043 19.143 1.00 0.00 C ATOM 740 CG MET A 50 -4.118 11.731 18.364 1.00 0.00 C ATOM 741 SD MET A 50 -3.135 10.456 19.170 1.00 0.00 S ATOM 742 CE MET A 50 -4.088 10.195 20.669 1.00 0.00 C ATOM 0 H MET A 50 -4.721 15.242 20.248 1.00 0.00 H new ATOM 0 HA MET A 50 -4.619 14.323 17.499 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.104 13.408 19.233 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.487 12.852 20.154 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.142 11.375 18.246 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.725 11.909 17.363 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.822 9.233 21.106 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.870 10.990 21.382 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.151 10.204 20.430 1.00 0.00 H new ATOM 752 N ARG A 51 -7.186 14.317 17.563 1.00 0.00 N ATOM 753 CA ARG A 51 -8.553 13.942 17.277 1.00 0.00 C ATOM 754 C ARG A 51 -8.692 13.847 15.770 1.00 0.00 C ATOM 755 O ARG A 51 -7.773 13.359 15.109 1.00 0.00 O ATOM 756 CB ARG A 51 -9.562 14.949 17.863 1.00 0.00 C ATOM 757 CG ARG A 51 -9.648 14.960 19.391 1.00 0.00 C ATOM 758 CD ARG A 51 -10.759 15.894 19.846 1.00 0.00 C ATOM 759 NE ARG A 51 -10.946 15.929 21.306 1.00 0.00 N ATOM 760 CZ ARG A 51 -12.095 16.297 21.886 1.00 0.00 C ATOM 761 NH1 ARG A 51 -13.201 16.427 21.156 1.00 0.00 N ATOM 762 NH2 ARG A 51 -12.151 16.489 23.200 1.00 0.00 N ATOM 0 H ARG A 51 -6.862 15.129 17.038 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.777 12.984 17.746 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.295 15.949 17.521 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.550 14.728 17.460 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.836 13.952 19.760 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.696 15.281 19.814 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.541 16.902 19.493 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.694 15.587 19.377 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.164 15.660 21.903 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.174 16.246 20.153 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.075 16.707 21.600 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.316 16.356 23.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.029 16.769 23.637 1.00 0.00 H new ATOM 776 N THR A 52 -9.815 14.297 15.226 1.00 0.00 N ATOM 777 CA THR A 52 -10.003 14.298 13.789 1.00 0.00 C ATOM 778 C THR A 52 -8.826 15.027 13.110 1.00 0.00 C ATOM 779 O THR A 52 -8.597 16.222 13.343 1.00 0.00 O ATOM 780 CB THR A 52 -11.325 14.979 13.403 1.00 0.00 C ATOM 781 OG1 THR A 52 -12.366 14.532 14.286 1.00 0.00 O ATOM 782 CG2 THR A 52 -11.704 14.631 11.970 1.00 0.00 C ATOM 0 H THR A 52 -10.604 14.664 15.759 1.00 0.00 H new ATOM 0 HA THR A 52 -10.040 13.263 13.450 1.00 0.00 H new ATOM 0 HB THR A 52 -11.201 16.059 13.486 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.413 15.126 15.064 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.643 15.121 11.713 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.920 14.971 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.821 13.551 11.877 1.00 0.00 H new ATOM 790 N PRO A 53 -8.073 14.306 12.266 1.00 0.00 N ATOM 791 CA PRO A 53 -6.862 14.823 11.604 1.00 0.00 C ATOM 792 C PRO A 53 -7.175 15.789 10.458 1.00 0.00 C ATOM 793 O PRO A 53 -6.487 15.800 9.431 1.00 0.00 O ATOM 794 CB PRO A 53 -6.203 13.552 11.071 1.00 0.00 C ATOM 795 CG PRO A 53 -7.337 12.626 10.822 1.00 0.00 C ATOM 796 CD PRO A 53 -8.357 12.920 11.883 1.00 0.00 C ATOM 0 HA PRO A 53 -6.238 15.402 12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.642 13.748 10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.501 13.135 11.793 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.754 12.780 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.010 11.587 10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.373 12.810 11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.259 12.242 12.731 1.00 0.00 H new ATOM 804 N GLY A 54 -8.185 16.610 10.656 1.00 0.00 N ATOM 805 CA GLY A 54 -8.570 17.574 9.664 1.00 0.00 C ATOM 806 C GLY A 54 -9.044 18.857 10.303 1.00 0.00 C ATOM 807 O GLY A 54 -8.480 19.931 10.065 1.00 0.00 O ATOM 0 H GLY A 54 -8.753 16.623 11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.725 17.782 9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.363 17.161 9.040 1.00 0.00 H new ATOM 811 N TYR A 55 -10.070 18.747 11.122 1.00 0.00 N ATOM 812 CA TYR A 55 -10.649 19.873 11.790 1.00 0.00 C ATOM 813 C TYR A 55 -11.384 19.416 13.026 1.00 0.00 C ATOM 814 O TYR A 55 -11.629 18.224 13.199 1.00 0.00 O ATOM 815 CB TYR A 55 -11.589 20.632 10.850 1.00 0.00 C ATOM 816 CG TYR A 55 -12.658 19.771 10.214 1.00 0.00 C ATOM 817 CD1 TYR A 55 -13.818 19.465 10.895 1.00 0.00 C ATOM 818 CD2 TYR A 55 -12.498 19.273 8.929 1.00 0.00 C ATOM 819 CE1 TYR A 55 -14.799 18.687 10.320 1.00 0.00 C ATOM 820 CE2 TYR A 55 -13.473 18.490 8.341 1.00 0.00 C ATOM 821 CZ TYR A 55 -14.623 18.200 9.042 1.00 0.00 C ATOM 822 OH TYR A 55 -15.604 17.427 8.465 1.00 0.00 O ATOM 0 H TYR A 55 -10.523 17.859 11.339 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.851 20.553 12.089 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -12.070 21.436 11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.998 21.099 10.062 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.960 19.842 11.897 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.597 19.501 8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -15.702 18.460 10.868 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.335 18.109 7.340 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.749 16.624 9.008 1.00 0.00 H new ATOM 832 N PHE A 56 -11.713 20.352 13.874 1.00 0.00 N ATOM 833 CA PHE A 56 -12.460 20.064 15.085 1.00 0.00 C ATOM 834 C PHE A 56 -13.949 20.229 14.818 1.00 0.00 C ATOM 835 O PHE A 56 -14.355 21.071 14.009 1.00 0.00 O ATOM 836 CB PHE A 56 -12.014 20.976 16.232 1.00 0.00 C ATOM 837 CG PHE A 56 -10.593 20.741 16.671 1.00 0.00 C ATOM 838 CD1 PHE A 56 -10.291 19.725 17.561 1.00 0.00 C ATOM 839 CD2 PHE A 56 -9.559 21.532 16.187 1.00 0.00 C ATOM 840 CE1 PHE A 56 -8.990 19.501 17.964 1.00 0.00 C ATOM 841 CE2 PHE A 56 -8.255 21.314 16.587 1.00 0.00 C ATOM 842 CZ PHE A 56 -7.970 20.297 17.477 1.00 0.00 C ATOM 0 H PHE A 56 -11.475 21.336 13.753 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.263 19.034 15.383 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.123 22.015 15.922 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.678 20.826 17.083 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.083 19.100 17.945 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.777 22.327 15.489 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.769 18.705 18.659 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.460 21.937 16.205 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.952 20.124 17.792 1.00 0.00 H new ATOM 852 N PHE A 57 -14.751 19.428 15.492 1.00 0.00 N ATOM 853 CA PHE A 57 -16.188 19.418 15.270 1.00 0.00 C ATOM 854 C PHE A 57 -16.880 20.647 15.868 1.00 0.00 C ATOM 855 O PHE A 57 -16.445 21.197 16.881 1.00 0.00 O ATOM 856 CB PHE A 57 -16.814 18.131 15.840 1.00 0.00 C ATOM 857 CG PHE A 57 -16.869 18.067 17.319 1.00 0.00 C ATOM 858 CD1 PHE A 57 -15.760 17.732 18.047 1.00 0.00 C ATOM 859 CD2 PHE A 57 -18.045 18.349 17.981 1.00 0.00 C ATOM 860 CE1 PHE A 57 -15.815 17.670 19.410 1.00 0.00 C ATOM 861 CE2 PHE A 57 -18.109 18.289 19.343 1.00 0.00 C ATOM 862 CZ PHE A 57 -16.991 17.950 20.066 1.00 0.00 C ATOM 0 H PHE A 57 -14.431 18.771 16.203 1.00 0.00 H new ATOM 0 HA PHE A 57 -16.342 19.449 14.191 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.827 18.032 15.449 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -16.246 17.275 15.475 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.832 17.515 17.539 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.925 18.620 17.416 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.934 17.401 19.974 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.036 18.508 19.851 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.035 17.904 21.144 1.00 0.00 H new ATOM 872 N GLN A 58 -17.945 21.066 15.207 1.00 0.00 N ATOM 873 CA GLN A 58 -18.788 22.161 15.662 1.00 0.00 C ATOM 874 C GLN A 58 -20.203 21.635 15.808 1.00 0.00 C ATOM 875 O GLN A 58 -20.804 21.231 14.828 1.00 0.00 O ATOM 876 CB GLN A 58 -18.753 23.322 14.653 1.00 0.00 C ATOM 877 CG GLN A 58 -19.668 24.492 15.014 1.00 0.00 C ATOM 878 CD GLN A 58 -19.265 25.196 16.296 1.00 0.00 C ATOM 879 OE1 GLN A 58 -18.085 25.294 16.626 1.00 0.00 O ATOM 880 NE2 GLN A 58 -20.245 25.690 17.025 1.00 0.00 N ATOM 0 H GLN A 58 -18.254 20.651 14.328 1.00 0.00 H new ATOM 0 HA GLN A 58 -18.425 22.539 16.618 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -17.729 23.687 14.572 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -19.036 22.944 13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -19.665 25.212 14.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -20.690 24.127 15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -21.212 25.588 16.716 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.037 26.175 17.898 1.00 0.00 H new ATOM 889 N GLN A 59 -20.719 21.622 17.030 1.00 0.00 N ATOM 890 CA GLN A 59 -22.042 21.050 17.293 1.00 0.00 C ATOM 891 C GLN A 59 -23.156 21.844 16.636 1.00 0.00 C ATOM 892 O GLN A 59 -23.966 21.292 15.885 1.00 0.00 O ATOM 893 CB GLN A 59 -22.282 20.923 18.801 1.00 0.00 C ATOM 894 CG GLN A 59 -23.547 20.160 19.157 1.00 0.00 C ATOM 895 CD GLN A 59 -23.755 20.049 20.652 1.00 0.00 C ATOM 896 OE1 GLN A 59 -23.386 20.943 21.412 1.00 0.00 O ATOM 897 NE2 GLN A 59 -24.346 18.952 21.085 1.00 0.00 N ATOM 0 H GLN A 59 -20.248 21.998 17.853 1.00 0.00 H new ATOM 0 HA GLN A 59 -22.057 20.055 16.848 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -21.427 20.423 19.255 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -22.336 21.921 19.237 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -24.407 20.659 18.710 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -23.498 19.160 18.725 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -24.637 18.234 20.422 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -24.512 18.822 22.083 1.00 0.00 H new ATOM 906 N ALA A 60 -23.181 23.125 16.929 1.00 0.00 N ATOM 907 CA ALA A 60 -24.173 24.066 16.386 1.00 0.00 C ATOM 908 C ALA A 60 -25.610 23.727 16.839 1.00 0.00 C ATOM 909 O ALA A 60 -25.945 22.572 17.097 1.00 0.00 O ATOM 910 CB ALA A 60 -24.079 24.127 14.862 1.00 0.00 C ATOM 0 H ALA A 60 -22.509 23.563 17.559 1.00 0.00 H new ATOM 0 HA ALA A 60 -23.939 25.051 16.789 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -24.821 24.828 14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -23.082 24.459 14.572 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -24.267 23.137 14.446 1.00 0.00 H new ATOM 916 N PRO A 61 -26.477 24.744 16.967 1.00 0.00 N ATOM 917 CA PRO A 61 -27.864 24.536 17.383 1.00 0.00 C ATOM 918 C PRO A 61 -28.701 23.816 16.314 1.00 0.00 C ATOM 919 O PRO A 61 -29.128 24.427 15.327 1.00 0.00 O ATOM 920 CB PRO A 61 -28.388 25.963 17.609 1.00 0.00 C ATOM 921 CG PRO A 61 -27.520 26.823 16.755 1.00 0.00 C ATOM 922 CD PRO A 61 -26.167 26.171 16.749 1.00 0.00 C ATOM 0 HA PRO A 61 -27.930 23.899 18.265 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -29.436 26.050 17.323 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -28.319 26.249 18.659 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -27.921 26.899 15.744 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -27.463 27.836 17.153 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -25.648 26.330 15.804 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -25.526 26.568 17.536 1.00 0.00 H new ATOM 930 N ASN A 62 -28.902 22.509 16.519 1.00 0.00 N ATOM 931 CA ASN A 62 -29.717 21.665 15.625 1.00 0.00 C ATOM 932 C ASN A 62 -29.228 21.705 14.178 1.00 0.00 C ATOM 933 O ASN A 62 -30.021 21.617 13.241 1.00 0.00 O ATOM 934 CB ASN A 62 -31.200 22.051 15.698 1.00 0.00 C ATOM 935 CG ASN A 62 -31.842 21.663 17.019 1.00 0.00 C ATOM 936 OD1 ASN A 62 -31.448 20.684 17.658 1.00 0.00 O ATOM 937 ND2 ASN A 62 -32.831 22.425 17.439 1.00 0.00 N ATOM 0 H ASN A 62 -28.505 22.002 17.310 1.00 0.00 H new ATOM 0 HA ASN A 62 -29.604 20.640 15.979 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -31.299 23.127 15.553 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -31.738 21.568 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -33.299 22.214 18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -33.129 23.226 16.883 1.00 0.00 H new ATOM 944 N ARG A 63 -27.929 21.811 14.003 1.00 0.00 N ATOM 945 CA ARG A 63 -27.334 21.823 12.671 1.00 0.00 C ATOM 946 C ARG A 63 -26.376 20.655 12.532 1.00 0.00 C ATOM 947 O ARG A 63 -26.553 19.625 13.181 1.00 0.00 O ATOM 948 CB ARG A 63 -26.569 23.126 12.420 1.00 0.00 C ATOM 949 CG ARG A 63 -27.424 24.368 12.314 1.00 0.00 C ATOM 950 CD ARG A 63 -26.556 25.581 12.042 1.00 0.00 C ATOM 951 NE ARG A 63 -27.339 26.813 11.959 1.00 0.00 N ATOM 952 CZ ARG A 63 -26.815 28.021 11.735 1.00 0.00 C ATOM 953 NH1 ARG A 63 -25.510 28.150 11.522 1.00 0.00 N ATOM 954 NH2 ARG A 63 -27.597 29.094 11.713 1.00 0.00 N ATOM 0 H ARG A 63 -27.256 21.891 14.766 1.00 0.00 H new ATOM 0 HA ARG A 63 -28.138 21.742 11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -25.851 23.267 13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -25.996 23.020 11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -28.154 24.248 11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -27.984 24.513 13.238 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -25.812 25.678 12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -26.012 25.435 11.109 1.00 0.00 H new ATOM 0 HE ARG A 63 -28.350 26.746 12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -24.908 27.326 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.110 29.073 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -28.601 28.997 11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -27.194 30.015 11.542 1.00 0.00 H new ATOM 968 N ARG A 64 -25.382 20.814 11.659 1.00 0.00 N ATOM 969 CA ARG A 64 -24.319 19.841 11.492 1.00 0.00 C ATOM 970 C ARG A 64 -23.654 19.609 12.840 1.00 0.00 C ATOM 971 O ARG A 64 -22.852 20.406 13.276 1.00 0.00 O ATOM 972 CB ARG A 64 -23.319 20.386 10.490 1.00 0.00 C ATOM 973 CG ARG A 64 -23.884 20.500 9.082 1.00 0.00 C ATOM 974 CD ARG A 64 -22.968 21.302 8.180 1.00 0.00 C ATOM 975 NE ARG A 64 -22.973 22.726 8.544 1.00 0.00 N ATOM 976 CZ ARG A 64 -22.170 23.649 8.017 1.00 0.00 C ATOM 977 NH1 ARG A 64 -21.251 23.310 7.117 1.00 0.00 N ATOM 978 NH2 ARG A 64 -22.286 24.914 8.399 1.00 0.00 N ATOM 0 H ARG A 64 -25.297 21.627 11.048 1.00 0.00 H new ATOM 0 HA ARG A 64 -24.712 18.893 11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -22.982 21.369 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -22.443 19.738 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -24.027 19.503 8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -24.865 20.973 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.953 20.911 8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -23.284 21.188 7.143 1.00 0.00 H new ATOM 0 HE ARG A 64 -23.641 23.030 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.157 22.337 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.640 24.023 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -22.987 25.175 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.674 25.626 7.999 1.00 0.00 H new ATOM 992 N ARG A 65 -24.018 18.505 13.477 1.00 0.00 N ATOM 993 CA ARG A 65 -23.615 18.200 14.850 1.00 0.00 C ATOM 994 C ARG A 65 -22.107 18.030 15.007 1.00 0.00 C ATOM 995 O ARG A 65 -21.536 18.431 16.011 1.00 0.00 O ATOM 996 CB ARG A 65 -24.372 16.970 15.330 1.00 0.00 C ATOM 997 CG ARG A 65 -25.873 17.215 15.408 1.00 0.00 C ATOM 998 CD ARG A 65 -26.636 15.982 15.840 1.00 0.00 C ATOM 999 NE ARG A 65 -28.083 16.217 15.871 1.00 0.00 N ATOM 1000 CZ ARG A 65 -28.919 15.630 16.730 1.00 0.00 C ATOM 1001 NH1 ARG A 65 -28.447 14.816 17.667 1.00 0.00 N ATOM 1002 NH2 ARG A 65 -30.229 15.865 16.660 1.00 0.00 N ATOM 0 H ARG A 65 -24.607 17.787 13.055 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.874 19.055 15.475 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -24.176 16.138 14.654 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -24.001 16.677 16.312 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -26.070 18.026 16.110 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -26.236 17.541 14.434 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -26.416 15.161 15.157 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -26.297 15.673 16.829 1.00 0.00 H new ATOM 0 HE ARG A 65 -28.476 16.870 15.193 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -27.445 14.639 17.731 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -29.087 14.368 18.323 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -30.597 16.496 15.948 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -30.864 15.414 17.319 1.00 0.00 H new ATOM 1016 N ILE A 66 -21.477 17.410 14.039 1.00 0.00 N ATOM 1017 CA ILE A 66 -20.026 17.291 14.053 1.00 0.00 C ATOM 1018 C ILE A 66 -19.450 17.943 12.814 1.00 0.00 C ATOM 1019 O ILE A 66 -18.424 18.621 12.864 1.00 0.00 O ATOM 1020 CB ILE A 66 -19.540 15.809 14.167 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -20.063 14.953 12.993 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -19.958 15.213 15.505 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -19.590 13.506 13.021 1.00 0.00 C ATOM 0 H ILE A 66 -21.935 16.981 13.235 1.00 0.00 H new ATOM 0 HA ILE A 66 -19.666 17.805 14.944 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.451 15.807 14.114 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -21.153 14.968 13.003 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.747 15.410 12.055 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -19.612 14.181 15.568 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.517 15.794 16.315 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -21.044 15.237 15.591 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.001 12.972 12.164 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.501 13.478 12.978 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.929 13.030 13.941 1.00 0.00 H new ATOM 1035 N SER A 67 -20.162 17.750 11.712 1.00 0.00 N ATOM 1036 CA SER A 67 -19.822 18.278 10.409 1.00 0.00 C ATOM 1037 C SER A 67 -20.752 17.649 9.402 1.00 0.00 C ATOM 1038 O SER A 67 -21.287 18.307 8.516 1.00 0.00 O ATOM 1039 CB SER A 67 -18.365 17.961 10.049 1.00 0.00 C ATOM 1040 OG SER A 67 -18.044 18.415 8.741 1.00 0.00 O ATOM 0 H SER A 67 -21.022 17.201 11.707 1.00 0.00 H new ATOM 0 HA SER A 67 -19.930 19.363 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.699 18.431 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.198 16.886 10.114 1.00 0.00 H new ATOM 0 HG SER A 67 -17.087 18.284 8.575 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.949 16.362 9.580 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.837 15.574 8.764 1.00 0.00 C ATOM 1048 C ARG A 68 -22.914 14.967 9.646 1.00 0.00 C ATOM 1049 O ARG A 68 -22.682 14.721 10.833 1.00 0.00 O ATOM 1050 CB ARG A 68 -21.050 14.485 8.010 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.745 14.829 6.553 1.00 0.00 C ATOM 1052 CD ARG A 68 -20.068 16.187 6.385 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.645 16.177 6.751 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.656 15.884 5.889 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.942 15.500 4.651 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.382 15.981 6.263 1.00 0.00 N ATOM 0 H ARG A 68 -20.485 15.825 10.313 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.312 16.210 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.111 14.303 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.618 13.555 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.104 14.056 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.674 14.820 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.167 16.509 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.588 16.923 6.998 1.00 0.00 H new ATOM 0 HE ARG A 68 -18.394 16.405 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.914 15.427 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.189 15.278 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.150 16.280 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.638 15.757 5.602 1.00 0.00 H new ATOM 1070 N GLU A 69 -24.085 14.761 9.080 1.00 0.00 N ATOM 1071 CA GLU A 69 -25.225 14.258 9.831 1.00 0.00 C ATOM 1072 C GLU A 69 -25.113 12.763 10.135 1.00 0.00 C ATOM 1073 O GLU A 69 -24.474 11.994 9.394 1.00 0.00 O ATOM 1074 CB GLU A 69 -26.532 14.557 9.075 1.00 0.00 C ATOM 1075 CG GLU A 69 -27.797 14.030 9.757 1.00 0.00 C ATOM 1076 CD GLU A 69 -28.057 14.664 11.118 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -27.263 14.426 12.056 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -29.067 15.379 11.260 1.00 0.00 O ATOM 0 H GLU A 69 -24.277 14.935 8.093 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.234 14.777 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.625 15.636 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.466 14.124 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.654 14.213 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.713 12.950 9.877 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.735 12.368 11.232 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.795 10.989 11.650 1.00 0.00 C ATOM 1087 C HIS A 70 -27.247 10.618 11.914 1.00 0.00 C ATOM 1088 O HIS A 70 -28.026 11.442 12.395 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.929 10.743 12.914 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.510 11.240 14.213 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -26.179 10.419 15.097 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.491 12.466 14.792 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.544 11.115 16.157 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.140 12.359 16.000 1.00 0.00 N ATOM 0 H HIS A 70 -26.217 13.009 11.862 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.392 10.360 10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.748 9.672 13.005 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.960 11.219 12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.048 13.361 14.381 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -27.083 10.730 17.010 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.285 13.118 16.665 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.613 9.402 11.592 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.976 8.981 11.794 1.00 0.00 C ATOM 1104 C GLY A 71 -29.057 7.702 12.580 1.00 0.00 C ATOM 1105 O GLY A 71 -28.318 6.769 12.307 1.00 0.00 O ATOM 0 H GLY A 71 -26.995 8.695 11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.524 9.764 12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.461 8.844 10.827 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.955 7.672 13.557 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.180 6.500 14.408 1.00 0.00 C ATOM 1111 C ARG A 72 -28.898 5.947 15.025 1.00 0.00 C ATOM 1112 O ARG A 72 -28.501 6.350 16.120 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.934 5.400 13.648 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.365 5.769 13.299 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.064 4.667 12.503 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.116 3.394 13.236 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.893 2.349 12.899 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.819 2.474 11.955 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.773 1.197 13.545 1.00 0.00 N ATOM 0 H ARG A 72 -30.555 8.465 13.786 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.799 6.844 15.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.394 5.169 12.730 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.939 4.492 14.251 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.923 5.964 14.215 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.370 6.693 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -34.078 4.985 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.542 4.518 11.558 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.521 3.296 14.058 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.945 3.368 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -35.404 1.676 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.091 1.103 14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -34.362 0.405 13.289 1.00 0.00 H new ATOM 1133 N THR A 73 -28.264 5.026 14.329 1.00 0.00 N ATOM 1134 CA THR A 73 -27.078 4.377 14.825 1.00 0.00 C ATOM 1135 C THR A 73 -25.959 4.338 13.769 1.00 0.00 C ATOM 1136 O THR A 73 -25.012 3.552 13.883 1.00 0.00 O ATOM 1137 CB THR A 73 -27.419 2.948 15.280 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.179 2.272 14.260 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.221 2.966 16.573 1.00 0.00 C ATOM 0 H THR A 73 -28.559 4.710 13.405 1.00 0.00 H new ATOM 0 HA THR A 73 -26.711 4.958 15.672 1.00 0.00 H new ATOM 0 HB THR A 73 -26.483 2.418 15.453 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.390 1.363 14.558 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.450 1.944 16.874 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.639 3.453 17.355 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.150 3.515 16.417 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.062 5.194 12.752 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.076 5.219 11.676 1.00 0.00 C ATOM 1149 C TRP A 74 -24.657 6.642 11.317 1.00 0.00 C ATOM 1150 O TRP A 74 -25.461 7.571 11.369 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.626 4.497 10.428 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.994 4.966 9.989 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.190 4.398 10.320 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.309 6.093 9.142 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.223 5.097 9.746 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.711 6.138 9.018 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.545 7.070 8.481 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -29.367 7.109 8.261 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -27.203 8.035 7.735 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -28.599 8.047 7.633 1.00 0.00 C ATOM 0 H TRP A 74 -26.815 5.875 12.652 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.190 4.696 12.035 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.926 4.636 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.670 3.427 10.632 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.307 3.524 10.944 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.214 4.876 9.846 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.467 7.069 8.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -30.444 7.118 8.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -26.628 8.792 7.223 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -29.079 8.815 7.045 1.00 0.00 H new ATOM 1171 N THR A 75 -23.385 6.809 10.989 1.00 0.00 N ATOM 1172 CA THR A 75 -22.875 8.088 10.529 1.00 0.00 C ATOM 1173 C THR A 75 -21.797 7.886 9.469 1.00 0.00 C ATOM 1174 O THR A 75 -21.082 6.878 9.477 1.00 0.00 O ATOM 1175 CB THR A 75 -22.327 8.987 11.679 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.265 10.352 11.235 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.930 8.561 12.125 1.00 0.00 C ATOM 0 H THR A 75 -22.685 6.069 11.034 1.00 0.00 H new ATOM 0 HA THR A 75 -23.726 8.614 10.096 1.00 0.00 H new ATOM 0 HB THR A 75 -23.007 8.881 12.525 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.922 10.916 11.959 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.589 9.215 12.927 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.961 7.532 12.484 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.242 8.631 11.283 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.711 8.822 8.549 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.691 8.791 7.529 1.00 0.00 C ATOM 1187 C LYS A 76 -19.663 9.861 7.836 1.00 0.00 C ATOM 1188 O LYS A 76 -19.912 11.053 7.599 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.293 9.061 6.155 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.274 9.016 5.021 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.841 9.587 3.736 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.664 11.100 3.658 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.316 11.818 4.784 1.00 0.00 N ATOM 0 H LYS A 76 -22.343 9.620 8.489 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.229 7.804 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.074 8.326 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.771 10.040 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.385 9.578 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.960 7.986 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.349 9.120 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.901 9.342 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.600 11.336 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.077 11.461 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.266 12.843 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.312 11.526 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.827 11.587 5.672 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.525 9.455 8.336 1.00 0.00 N ATOM 1208 CA LEU A 77 -17.501 10.407 8.710 1.00 0.00 C ATOM 1209 C LEU A 77 -16.264 10.253 7.856 1.00 0.00 C ATOM 1210 O LEU A 77 -15.999 9.180 7.298 1.00 0.00 O ATOM 1211 CB LEU A 77 -17.146 10.322 10.213 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.387 9.071 10.691 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -15.824 9.304 12.081 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.291 7.850 10.699 1.00 0.00 C ATOM 0 H LEU A 77 -18.281 8.478 8.495 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.916 11.399 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.548 11.197 10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.073 10.392 10.783 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.569 8.886 9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.289 8.414 12.411 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.139 10.152 12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.639 9.514 12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.727 6.982 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -18.132 8.024 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.664 7.667 9.691 1.00 0.00 H new ATOM 1226 N THR A 78 -15.528 11.329 7.753 1.00 0.00 N ATOM 1227 CA THR A 78 -14.330 11.371 6.968 1.00 0.00 C ATOM 1228 C THR A 78 -13.104 11.295 7.886 1.00 0.00 C ATOM 1229 O THR A 78 -12.953 12.111 8.794 1.00 0.00 O ATOM 1230 CB THR A 78 -14.307 12.690 6.154 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.497 12.775 5.347 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.077 12.771 5.259 1.00 0.00 C ATOM 0 H THR A 78 -15.750 12.209 8.219 1.00 0.00 H new ATOM 0 HA THR A 78 -14.306 10.522 6.285 1.00 0.00 H new ATOM 0 HB THR A 78 -14.269 13.523 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.470 13.594 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.093 13.708 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.177 12.728 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.080 11.934 4.560 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.240 10.309 7.653 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.057 10.122 8.494 1.00 0.00 C ATOM 1242 C TYR A 79 -9.839 10.849 7.935 1.00 0.00 C ATOM 1243 O TYR A 79 -8.772 10.848 8.557 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.746 8.634 8.669 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.641 7.934 9.669 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -12.879 7.429 9.299 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.243 7.783 10.989 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -13.692 6.795 10.220 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.048 7.151 11.913 1.00 0.00 C ATOM 1250 CZ TYR A 79 -13.270 6.659 11.525 1.00 0.00 C ATOM 1251 OH TYR A 79 -14.076 6.025 12.444 1.00 0.00 O ATOM 0 H TYR A 79 -12.334 9.632 6.896 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.285 10.555 9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.839 8.137 7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.709 8.524 8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.212 7.533 8.277 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.283 8.168 11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.654 6.408 9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.719 7.044 12.936 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.630 6.013 13.317 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.011 11.464 6.755 1.00 0.00 N ATOM 1262 CA ALA A 80 -8.963 12.255 6.074 1.00 0.00 C ATOM 1263 C ALA A 80 -7.793 11.395 5.570 1.00 0.00 C ATOM 1264 O ALA A 80 -7.384 11.514 4.411 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.460 13.389 6.968 1.00 0.00 C ATOM 0 H ALA A 80 -10.889 11.428 6.238 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.433 12.689 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.690 13.953 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.289 14.051 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.041 12.972 7.884 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.270 10.543 6.425 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.150 9.687 6.063 1.00 0.00 C ATOM 1273 C ASN A 81 -6.631 8.328 5.631 1.00 0.00 C ATOM 1274 O ASN A 81 -7.576 7.779 6.199 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.169 9.534 7.229 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.414 10.811 7.530 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -3.373 11.091 6.935 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.917 11.586 8.462 1.00 0.00 N ATOM 0 H ASN A 81 -7.601 10.421 7.382 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.633 10.165 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.715 9.222 8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.457 8.742 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.443 12.453 8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.782 11.321 8.934 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.968 7.782 4.635 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.309 6.477 4.100 1.00 0.00 C ATOM 1287 C HIS A 82 -5.842 5.384 5.061 1.00 0.00 C ATOM 1288 O HIS A 82 -6.377 4.285 5.072 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.683 6.284 2.714 1.00 0.00 C ATOM 1290 CG HIS A 82 -6.231 5.115 1.944 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -7.283 5.226 1.061 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.863 3.812 1.923 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.539 4.042 0.532 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -6.694 3.170 1.037 1.00 0.00 N ATOM 0 H HIS A 82 -5.177 8.228 4.171 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.392 6.410 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.835 7.192 2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.607 6.156 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.066 3.362 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.311 3.827 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -6.661 2.177 0.808 1.00 0.00 H new ATOM 1302 N SER A 83 -4.824 5.702 5.855 1.00 0.00 N ATOM 1303 CA SER A 83 -4.314 4.771 6.857 1.00 0.00 C ATOM 1304 C SER A 83 -5.416 4.419 7.866 1.00 0.00 C ATOM 1305 O SER A 83 -5.576 3.263 8.259 1.00 0.00 O ATOM 1306 CB SER A 83 -3.119 5.398 7.579 1.00 0.00 C ATOM 1307 OG SER A 83 -2.137 5.824 6.648 1.00 0.00 O ATOM 0 H SER A 83 -4.336 6.597 5.824 1.00 0.00 H new ATOM 0 HA SER A 83 -3.993 3.855 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.453 6.246 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.684 4.674 8.268 1.00 0.00 H new ATOM 0 HG SER A 83 -1.382 6.223 7.129 1.00 0.00 H new ATOM 1313 N SER A 84 -6.188 5.427 8.257 1.00 0.00 N ATOM 1314 CA SER A 84 -7.274 5.257 9.201 1.00 0.00 C ATOM 1315 C SER A 84 -8.410 4.439 8.586 1.00 0.00 C ATOM 1316 O SER A 84 -9.178 3.798 9.295 1.00 0.00 O ATOM 1317 CB SER A 84 -7.784 6.621 9.638 1.00 0.00 C ATOM 1318 OG SER A 84 -6.711 7.440 10.083 1.00 0.00 O ATOM 0 H SER A 84 -6.074 6.385 7.925 1.00 0.00 H new ATOM 0 HA SER A 84 -6.901 4.714 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.298 7.106 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.514 6.502 10.439 1.00 0.00 H new ATOM 0 HG SER A 84 -6.640 7.385 11.059 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.483 4.456 7.258 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.525 3.753 6.511 1.00 0.00 C ATOM 1326 C TYR A 85 -9.486 2.255 6.814 1.00 0.00 C ATOM 1327 O TYR A 85 -10.514 1.649 7.084 1.00 0.00 O ATOM 1328 CB TYR A 85 -9.323 4.021 5.007 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.264 3.299 4.059 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.543 3.781 3.819 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.852 2.158 3.374 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.389 3.149 2.924 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.692 1.516 2.484 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.959 2.014 2.261 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.794 1.389 1.359 1.00 0.00 O ATOM 0 H TYR A 85 -7.820 4.958 6.667 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.506 4.120 6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.421 5.093 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.300 3.749 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.884 4.664 4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.859 1.768 3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.380 3.540 2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.358 0.629 1.966 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.340 0.608 0.980 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.296 1.674 6.775 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.131 0.248 7.074 1.00 0.00 C ATOM 1347 C LEU A 86 -8.453 -0.063 8.539 1.00 0.00 C ATOM 1348 O LEU A 86 -9.103 -1.067 8.844 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.707 -0.233 6.748 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.333 -0.339 5.258 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.393 -1.111 4.483 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.095 1.034 4.642 1.00 0.00 C ATOM 0 H LEU A 86 -7.430 2.160 6.541 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.838 -0.287 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.001 0.445 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.567 -1.213 7.204 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.397 -0.893 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.105 -1.171 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.483 -2.117 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.351 -0.598 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.833 0.920 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.001 1.633 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.280 1.532 5.167 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.990 0.796 9.437 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.203 0.597 10.877 1.00 0.00 C ATOM 1366 C ARG A 87 -9.689 0.709 11.239 1.00 0.00 C ATOM 1367 O ARG A 87 -10.204 -0.069 12.041 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.390 1.609 11.691 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.882 1.430 11.580 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.137 2.443 12.439 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.685 2.336 12.277 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.781 2.852 13.127 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.179 3.457 14.248 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.481 2.757 12.854 1.00 0.00 N ATOM 0 H ARG A 87 -7.465 1.638 9.201 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.863 -0.409 11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.650 2.615 11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.678 1.531 12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.610 0.420 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.577 1.539 10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.458 3.450 12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.397 2.291 13.487 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.335 1.834 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.173 3.529 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.489 3.847 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.172 2.293 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.795 3.149 13.499 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.365 1.674 10.631 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.782 1.917 10.882 1.00 0.00 C ATOM 1390 C ALA A 88 -12.659 0.929 10.125 1.00 0.00 C ATOM 1391 O ALA A 88 -13.847 0.833 10.377 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.147 3.343 10.510 1.00 0.00 C ATOM 0 H ALA A 88 -9.949 2.310 9.951 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.962 1.773 11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.207 3.509 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.556 4.037 11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.940 3.507 9.452 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.046 0.202 9.196 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.738 -0.771 8.340 1.00 0.00 C ATOM 1400 C LEU A 89 -13.337 -1.939 9.162 1.00 0.00 C ATOM 1401 O LEU A 89 -13.986 -2.830 8.601 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.780 -1.294 7.252 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.400 -2.155 6.150 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.441 -1.360 5.375 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.324 -2.674 5.209 1.00 0.00 C ATOM 0 H LEU A 89 -11.045 0.268 9.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.572 -0.261 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.296 -0.437 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.997 -1.875 7.738 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.892 -3.008 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.872 -1.988 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.229 -1.033 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.969 -0.489 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.784 -3.284 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.805 -1.832 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.611 -3.278 5.770 1.00 0.00 H new ATOM 1417 N ARG A 90 -13.058 -1.938 10.484 1.00 0.00 N ATOM 1418 CA ARG A 90 -13.566 -2.953 11.429 1.00 0.00 C ATOM 1419 C ARG A 90 -15.004 -3.368 11.101 1.00 0.00 C ATOM 1420 O ARG A 90 -15.886 -2.525 10.916 1.00 0.00 O ATOM 1421 CB ARG A 90 -13.529 -2.402 12.860 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.137 -2.148 13.412 1.00 0.00 C ATOM 1423 CD ARG A 90 -11.387 -3.446 13.648 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.088 -3.227 14.288 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.585 -4.013 15.253 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -10.290 -5.051 15.711 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.387 -3.755 15.764 1.00 0.00 N ATOM 0 H ARG A 90 -12.472 -1.230 10.926 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.922 -3.828 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.091 -1.469 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.042 -3.104 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.577 -1.524 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.211 -1.594 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.991 -4.104 14.272 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.240 -3.956 12.696 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.532 -2.429 13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.214 -5.249 15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.904 -5.646 16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.848 -2.959 15.423 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.006 -4.353 16.497 1.00 0.00 H new ATOM 1441 N GLU A 91 -15.227 -4.661 11.045 1.00 0.00 N ATOM 1442 CA GLU A 91 -16.516 -5.195 10.697 1.00 0.00 C ATOM 1443 C GLU A 91 -16.878 -6.349 11.624 1.00 0.00 C ATOM 1444 O GLU A 91 -16.391 -6.423 12.760 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.496 -5.661 9.234 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.418 -6.701 8.938 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.404 -7.132 7.490 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -14.791 -6.438 6.667 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -16.001 -8.178 7.171 1.00 0.00 O ATOM 0 H GLU A 91 -14.518 -5.368 11.240 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.272 -4.419 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.471 -6.078 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.342 -4.797 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.442 -6.292 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.578 -7.574 9.571 1.00 0.00 H new ATOM 1456 N HIS A 92 -17.719 -7.254 11.129 1.00 0.00 N ATOM 1457 CA HIS A 92 -18.158 -8.407 11.895 1.00 0.00 C ATOM 1458 C HIS A 92 -16.954 -9.187 12.386 1.00 0.00 C ATOM 1459 O HIS A 92 -16.103 -9.592 11.602 1.00 0.00 O ATOM 1460 CB HIS A 92 -19.064 -9.304 11.044 1.00 0.00 C ATOM 1461 CG HIS A 92 -19.609 -10.483 11.787 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -19.109 -11.755 11.644 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -20.606 -10.573 12.698 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -19.775 -12.578 12.436 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -20.685 -11.885 13.086 1.00 0.00 N ATOM 0 H HIS A 92 -18.111 -7.205 10.189 1.00 0.00 H new ATOM 0 HA HIS A 92 -18.731 -8.061 12.755 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -19.895 -8.710 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -18.502 -9.658 10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.224 -9.762 13.053 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -19.601 -13.640 12.533 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -21.343 -12.263 13.768 1.00 0.00 H new ATOM 1473 N GLY A 93 -16.890 -9.378 13.680 1.00 0.00 N ATOM 1474 CA GLY A 93 -15.760 -10.030 14.291 1.00 0.00 C ATOM 1475 C GLY A 93 -15.157 -9.132 15.334 1.00 0.00 C ATOM 1476 O GLY A 93 -14.547 -9.592 16.296 1.00 0.00 O ATOM 0 H GLY A 93 -17.615 -9.088 14.336 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.073 -10.971 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.015 -10.274 13.533 1.00 0.00 H new ATOM 1480 N THR A 94 -15.341 -7.837 15.141 1.00 0.00 N ATOM 1481 CA THR A 94 -14.908 -6.858 16.098 1.00 0.00 C ATOM 1482 C THR A 94 -16.057 -6.556 17.051 1.00 0.00 C ATOM 1483 O THR A 94 -16.905 -5.702 16.782 1.00 0.00 O ATOM 1484 CB THR A 94 -14.423 -5.562 15.401 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.332 -5.874 14.517 1.00 0.00 O ATOM 1486 CG2 THR A 94 -13.962 -4.520 16.417 1.00 0.00 C ATOM 0 H THR A 94 -15.794 -7.445 14.316 1.00 0.00 H new ATOM 0 HA THR A 94 -14.062 -7.260 16.656 1.00 0.00 H new ATOM 0 HB THR A 94 -15.260 -5.147 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.474 -5.433 13.653 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.629 -3.624 15.893 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.790 -4.266 17.079 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.138 -4.925 17.005 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.103 -7.295 18.136 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.152 -7.150 19.112 1.00 0.00 C ATOM 1496 C ILE A 95 -16.722 -6.209 20.212 1.00 0.00 C ATOM 1497 O ILE A 95 -15.665 -6.384 20.827 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.564 -8.526 19.705 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.132 -9.431 18.597 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.579 -8.354 20.833 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.403 -10.857 19.037 1.00 0.00 C ATOM 0 H ILE A 95 -15.414 -8.012 18.364 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.022 -6.728 18.609 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.676 -9.000 20.124 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.060 -8.994 18.227 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.432 -9.447 17.762 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.851 -9.332 21.230 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.142 -7.748 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.470 -7.859 20.448 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.801 -11.427 18.198 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.475 -11.315 19.379 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.128 -10.855 19.851 1.00 0.00 H new ATOM 1513 N TYR A 96 -17.528 -5.201 20.436 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.257 -4.217 21.446 1.00 0.00 C ATOM 1515 C TYR A 96 -18.482 -4.041 22.339 1.00 0.00 C ATOM 1516 O TYR A 96 -19.589 -3.826 21.846 1.00 0.00 O ATOM 1517 CB TYR A 96 -16.882 -2.878 20.792 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.365 -1.848 21.766 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.014 -1.770 22.055 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.225 -0.958 22.397 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -14.529 -0.841 22.945 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -16.748 -0.022 23.292 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.397 0.031 23.560 1.00 0.00 C ATOM 1524 OH TYR A 96 -14.914 0.951 24.453 1.00 0.00 O ATOM 0 H TYR A 96 -18.393 -5.042 19.919 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.419 -4.555 22.056 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.124 -3.056 20.030 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -17.757 -2.475 20.282 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.328 -2.451 21.573 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.283 -0.999 22.184 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.472 -0.796 23.160 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.427 0.663 23.778 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.997 1.194 24.208 1.00 0.00 H new ATOM 1534 N CYS A 97 -18.278 -4.176 23.645 1.00 0.00 N ATOM 1535 CA CYS A 97 -19.336 -3.983 24.645 1.00 0.00 C ATOM 1536 C CYS A 97 -20.432 -5.072 24.545 1.00 0.00 C ATOM 1537 O CYS A 97 -21.477 -4.978 25.193 1.00 0.00 O ATOM 1538 CB CYS A 97 -19.946 -2.574 24.498 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.875 -1.993 25.938 1.00 0.00 S ATOM 0 H CYS A 97 -17.374 -4.423 24.047 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.886 -4.076 25.633 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -19.143 -1.866 24.292 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -20.607 -2.568 23.631 1.00 0.00 H new ATOM 0 HG CYS A 97 -20.385 -0.859 26.342 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.180 -6.108 23.752 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.144 -7.192 23.632 1.00 0.00 C ATOM 1547 C GLY A 98 -21.746 -7.320 22.241 1.00 0.00 C ATOM 1548 O GLY A 98 -22.441 -8.299 21.951 1.00 0.00 O ATOM 0 H GLY A 98 -19.334 -6.219 23.194 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.657 -8.131 23.896 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -21.946 -7.035 24.353 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.488 -6.347 21.381 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.014 -6.375 20.021 1.00 0.00 C ATOM 1554 C ALA A 99 -20.931 -6.038 19.016 1.00 0.00 C ATOM 1555 O ALA A 99 -19.972 -5.348 19.345 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.182 -5.411 19.883 1.00 0.00 C ATOM 0 H ALA A 99 -20.919 -5.529 21.598 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.368 -7.385 19.815 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.563 -5.444 18.862 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.974 -5.697 20.575 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.848 -4.399 20.113 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.073 -6.532 17.802 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.095 -6.264 16.767 1.00 0.00 C ATOM 1564 C ALA A 100 -20.445 -4.998 16.009 1.00 0.00 C ATOM 1565 O ALA A 100 -21.575 -4.828 15.554 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.987 -7.439 15.805 1.00 0.00 C ATOM 0 H ALA A 100 -21.854 -7.119 17.509 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.128 -6.123 17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.247 -7.214 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.682 -8.331 16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.955 -7.615 15.335 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.476 -4.117 15.881 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.659 -2.884 15.146 1.00 0.00 C ATOM 1574 C ILE A 101 -19.310 -3.097 13.684 1.00 0.00 C ATOM 1575 O ILE A 101 -18.383 -3.848 13.358 1.00 0.00 O ATOM 1576 CB ILE A 101 -18.810 -1.719 15.734 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.315 -2.081 15.757 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.305 -1.355 17.129 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.417 -0.941 16.196 1.00 0.00 C ATOM 0 H ILE A 101 -18.545 -4.234 16.281 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.708 -2.600 15.236 1.00 0.00 H new ATOM 0 HB ILE A 101 -18.929 -0.849 15.089 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.166 -2.928 16.427 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.014 -2.406 14.761 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -18.702 -0.539 17.528 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.348 -1.043 17.075 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.219 -2.223 17.783 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.378 -1.272 16.187 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.536 -0.100 15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -16.690 -0.630 17.204 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.062 -2.470 12.808 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.833 -2.642 11.402 1.00 0.00 C ATOM 1593 C GLY A 102 -19.523 -1.347 10.706 1.00 0.00 C ATOM 1594 O GLY A 102 -20.290 -0.388 10.785 1.00 0.00 O ATOM 0 H GLY A 102 -20.830 -1.843 13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.006 -3.337 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.714 -3.094 10.946 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.397 -1.311 10.044 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.995 -0.160 9.290 1.00 0.00 C ATOM 1600 C CYS A 103 -17.583 -0.586 7.896 1.00 0.00 C ATOM 1601 O CYS A 103 -16.743 -1.476 7.729 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.855 0.559 9.989 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.311 2.061 9.159 1.00 0.00 S ATOM 0 H CYS A 103 -17.732 -2.084 10.014 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.835 0.531 9.215 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.166 0.810 11.003 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.009 -0.122 10.075 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.028 2.201 9.312 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.186 0.023 6.902 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.897 -0.305 5.520 1.00 0.00 C ATOM 1611 C VAL A 104 -17.711 0.961 4.699 1.00 0.00 C ATOM 1612 O VAL A 104 -18.135 2.046 5.119 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.032 -1.167 4.881 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.132 -2.532 5.548 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.368 -0.443 4.948 1.00 0.00 C ATOM 0 H VAL A 104 -18.886 0.755 7.024 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.975 -0.887 5.515 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.776 -1.321 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.931 -3.108 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.187 -3.063 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -19.350 -2.404 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.142 -1.064 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.623 -0.245 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.298 0.500 4.406 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.066 0.853 3.524 1.00 0.00 N ATOM 1626 CA PRO A 105 -16.893 1.987 2.617 1.00 0.00 C ATOM 1627 C PRO A 105 -18.242 2.551 2.169 1.00 0.00 C ATOM 1628 O PRO A 105 -19.249 1.829 2.142 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.143 1.384 1.416 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.348 -0.084 1.538 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.415 -0.359 3.007 1.00 0.00 C ATOM 0 HA PRO A 105 -16.361 2.815 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.538 1.762 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.084 1.639 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.266 -0.395 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.530 -0.634 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -16.993 -1.256 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.425 -0.504 3.439 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.260 3.836 1.832 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.492 4.508 1.427 1.00 0.00 C ATOM 1641 C TYR A 106 -20.173 3.797 0.268 1.00 0.00 C ATOM 1642 O TYR A 106 -19.572 3.571 -0.783 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.215 5.962 1.040 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.452 6.708 0.567 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.352 7.236 1.477 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.716 6.881 -0.792 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.479 7.914 1.056 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.844 7.557 -1.219 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.720 8.071 -0.290 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.837 8.753 -0.707 1.00 0.00 O ATOM 0 H TYR A 106 -17.434 4.435 1.831 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.163 4.482 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.791 6.484 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.463 5.983 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.169 7.116 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.028 6.480 -1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.169 8.320 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.036 7.681 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.860 8.776 -1.686 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.430 3.448 0.477 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.240 2.835 -0.552 1.00 0.00 C ATOM 1662 C LYS A 107 -23.610 3.500 -0.575 1.00 0.00 C ATOM 1663 O LYS A 107 -24.191 3.771 0.478 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.365 1.319 -0.324 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.039 0.576 -0.435 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.209 -0.920 -0.260 1.00 0.00 C ATOM 1667 CE LYS A 107 -19.868 -1.636 -0.341 1.00 0.00 C ATOM 1668 NZ LYS A 107 -20.015 -3.111 -0.241 1.00 0.00 N ATOM 0 H LYS A 107 -21.914 3.583 1.365 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.758 2.978 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.790 1.142 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.065 0.907 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.591 0.778 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.348 0.953 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.677 -1.126 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.878 -1.306 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.379 -1.384 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -19.219 -1.282 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.078 -3.558 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.458 -3.355 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.612 -3.454 -1.020 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.123 3.753 -1.768 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.393 4.453 -1.926 1.00 0.00 C ATOM 1684 C HIS A 108 -26.561 3.634 -1.372 1.00 0.00 C ATOM 1685 O HIS A 108 -27.445 4.177 -0.705 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.640 4.795 -3.404 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.924 5.552 -3.653 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -28.060 4.956 -4.156 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -27.236 6.858 -3.480 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -29.015 5.865 -4.281 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -28.538 7.025 -3.880 1.00 0.00 N ATOM 0 H HIS A 108 -23.679 3.484 -2.646 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.331 5.378 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.803 5.387 -3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.657 3.871 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.581 7.627 -3.098 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -30.014 5.686 -4.649 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -29.053 7.905 -3.869 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.548 2.333 -1.629 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.635 1.458 -1.200 1.00 0.00 C ATOM 1701 C GLU A 109 -27.727 1.380 0.317 1.00 0.00 C ATOM 1702 O GLU A 109 -28.825 1.414 0.877 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.472 0.057 -1.789 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.615 -0.884 -1.438 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.459 -2.253 -2.051 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -27.736 -3.091 -1.473 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.069 -2.506 -3.121 1.00 0.00 O ATOM 0 H GLU A 109 -25.798 1.859 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.563 1.891 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.395 0.134 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.536 -0.372 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.678 -0.982 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.555 -0.446 -1.774 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.575 1.317 0.980 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.542 1.218 2.433 1.00 0.00 C ATOM 1716 C LEU A 110 -27.208 2.436 3.063 1.00 0.00 C ATOM 1717 O LEU A 110 -28.042 2.306 3.950 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.097 1.106 2.927 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.914 1.064 4.452 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.500 -0.213 5.041 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.450 1.200 4.815 1.00 0.00 C ATOM 0 H LEU A 110 -25.657 1.333 0.535 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.088 0.322 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.656 0.204 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.532 1.952 2.535 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.456 1.907 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.356 -0.215 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.566 -0.261 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.998 -1.078 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.339 1.168 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.887 0.380 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.069 2.149 4.439 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.861 3.616 2.572 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.434 4.847 3.080 1.00 0.00 C ATOM 1735 C ILE A 111 -28.928 4.904 2.789 1.00 0.00 C ATOM 1736 O ILE A 111 -29.726 5.286 3.649 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.742 6.092 2.467 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.226 6.040 2.701 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.328 7.379 3.040 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.825 6.042 4.163 1.00 0.00 C ATOM 0 H ILE A 111 -26.183 3.744 1.820 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.274 4.857 4.158 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.925 6.084 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.827 5.143 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.763 6.895 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.826 8.238 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.394 7.425 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.184 7.395 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.739 6.004 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.192 6.951 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.256 5.173 4.660 1.00 0.00 H new ATOM 1752 N SER A 112 -29.300 4.516 1.576 1.00 0.00 N ATOM 1753 CA SER A 112 -30.690 4.556 1.153 1.00 0.00 C ATOM 1754 C SER A 112 -31.581 3.659 2.022 1.00 0.00 C ATOM 1755 O SER A 112 -32.633 4.098 2.488 1.00 0.00 O ATOM 1756 CB SER A 112 -30.803 4.158 -0.319 1.00 0.00 C ATOM 1757 OG SER A 112 -29.991 4.997 -1.127 1.00 0.00 O ATOM 0 H SER A 112 -28.654 4.169 0.867 1.00 0.00 H new ATOM 0 HA SER A 112 -31.044 5.580 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.500 3.119 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 112 -31.842 4.228 -0.642 1.00 0.00 H new ATOM 0 HG SER A 112 -29.068 4.669 -1.115 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.147 2.419 2.275 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.954 1.504 3.083 1.00 0.00 C ATOM 1765 C GLU A 113 -32.024 1.967 4.532 1.00 0.00 C ATOM 1766 O GLU A 113 -33.064 1.829 5.187 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.466 0.050 2.988 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.060 -0.199 3.509 1.00 0.00 C ATOM 1769 CD GLU A 113 -29.691 -1.666 3.480 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -30.046 -2.393 4.436 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.048 -2.107 2.509 1.00 0.00 O ATOM 0 H GLU A 113 -30.263 2.035 1.941 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.962 1.525 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -32.158 -0.585 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.510 -0.263 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -29.347 0.365 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.982 0.173 4.530 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.918 2.513 5.030 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.865 3.048 6.377 1.00 0.00 C ATOM 1780 C LEU A 114 -31.818 4.228 6.531 1.00 0.00 C ATOM 1781 O LEU A 114 -32.506 4.354 7.534 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.450 3.489 6.717 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.421 2.378 6.862 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.044 2.971 6.990 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.727 1.503 8.063 1.00 0.00 C ATOM 0 H LEU A 114 -30.043 2.594 4.512 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.170 2.258 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.108 4.174 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.481 4.053 7.650 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.463 1.753 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.311 2.171 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.817 3.558 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.005 3.614 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.975 0.718 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.714 2.110 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.712 1.052 7.943 1.00 0.00 H new ATOM 1797 N SER A 115 -31.830 5.095 5.525 1.00 0.00 N ATOM 1798 CA SER A 115 -32.674 6.281 5.535 1.00 0.00 C ATOM 1799 C SER A 115 -34.158 5.945 5.361 1.00 0.00 C ATOM 1800 O SER A 115 -35.013 6.513 6.036 1.00 0.00 O ATOM 1801 CB SER A 115 -32.223 7.249 4.440 1.00 0.00 C ATOM 1802 OG SER A 115 -30.864 7.627 4.624 1.00 0.00 O ATOM 0 H SER A 115 -31.259 4.996 4.686 1.00 0.00 H new ATOM 0 HA SER A 115 -32.564 6.750 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 -32.345 6.782 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.856 8.136 4.450 1.00 0.00 H new ATOM 0 HG SER A 115 -30.279 6.899 4.327 1.00 0.00 H new ATOM 1808 N ARG A 116 -34.460 5.036 4.437 1.00 0.00 N ATOM 1809 CA ARG A 116 -35.848 4.666 4.156 1.00 0.00 C ATOM 1810 C ARG A 116 -36.482 3.917 5.317 1.00 0.00 C ATOM 1811 O ARG A 116 -37.673 4.089 5.594 1.00 0.00 O ATOM 1812 CB ARG A 116 -35.960 3.863 2.859 1.00 0.00 C ATOM 1813 CG ARG A 116 -35.591 4.656 1.610 1.00 0.00 C ATOM 1814 CD ARG A 116 -36.508 5.858 1.410 1.00 0.00 C ATOM 1815 NE ARG A 116 -36.205 6.576 0.165 1.00 0.00 N ATOM 1816 CZ ARG A 116 -35.748 7.834 0.094 1.00 0.00 C ATOM 1817 NH1 ARG A 116 -35.517 8.532 1.206 1.00 0.00 N ATOM 1818 NH2 ARG A 116 -35.522 8.389 -1.093 1.00 0.00 N ATOM 0 H ARG A 116 -33.768 4.544 3.872 1.00 0.00 H new ATOM 0 HA ARG A 116 -36.404 5.594 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -35.313 2.989 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -36.981 3.496 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -34.558 4.996 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -35.648 4.006 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -37.546 5.524 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -36.405 6.538 2.256 1.00 0.00 H new ATOM 0 HE ARG A 116 -36.354 6.079 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -35.688 8.109 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -35.169 9.489 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -35.696 7.858 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -35.174 9.346 -1.151 1.00 0.00 H new ATOM 1832 N GLU A 117 -35.686 3.076 5.982 1.00 0.00 N ATOM 1833 CA GLU A 117 -36.148 2.297 7.131 1.00 0.00 C ATOM 1834 C GLU A 117 -37.268 1.356 6.729 1.00 0.00 C ATOM 1835 O GLU A 117 -38.413 1.483 7.186 1.00 0.00 O ATOM 1836 CB GLU A 117 -36.596 3.223 8.273 1.00 0.00 C ATOM 1837 CG GLU A 117 -35.492 4.125 8.801 1.00 0.00 C ATOM 1838 CD GLU A 117 -35.976 5.074 9.867 1.00 0.00 C ATOM 1839 OE1 GLU A 117 -36.452 6.174 9.518 1.00 0.00 O ATOM 1840 OE2 GLU A 117 -35.883 4.728 11.064 1.00 0.00 O ATOM 0 H GLU A 117 -34.708 2.917 5.740 1.00 0.00 H new ATOM 0 HA GLU A 117 -35.313 1.695 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -37.422 3.842 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -36.978 2.615 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -34.688 3.510 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -35.070 4.698 7.975 1.00 0.00 H new ATOM 1847 N GLY A 118 -36.936 0.413 5.873 1.00 0.00 N ATOM 1848 CA GLY A 118 -37.912 -0.517 5.400 1.00 0.00 C ATOM 1849 C GLY A 118 -37.356 -1.908 5.247 1.00 0.00 C ATOM 1850 O GLY A 118 -36.477 -2.326 5.999 1.00 0.00 O ATOM 0 H GLY A 118 -35.997 0.279 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -38.753 -0.540 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -38.299 -0.176 4.440 1.00 0.00 H new ATOM 1854 N HIS A 119 -37.864 -2.610 4.274 1.00 0.00 N ATOM 1855 CA HIS A 119 -37.463 -3.982 4.003 1.00 0.00 C ATOM 1856 C HIS A 119 -37.689 -4.277 2.519 1.00 0.00 C ATOM 1857 O HIS A 119 -38.542 -3.652 1.894 1.00 0.00 O ATOM 1858 CB HIS A 119 -38.287 -4.951 4.872 1.00 0.00 C ATOM 1859 CG HIS A 119 -37.696 -6.325 4.997 1.00 0.00 C ATOM 1860 ND1 HIS A 119 -37.931 -7.343 4.092 1.00 0.00 N ATOM 1861 CD2 HIS A 119 -36.881 -6.850 5.941 1.00 0.00 C ATOM 1862 CE1 HIS A 119 -37.288 -8.430 4.482 1.00 0.00 C ATOM 1863 NE2 HIS A 119 -36.646 -8.156 5.595 1.00 0.00 N ATOM 0 H HIS A 119 -38.575 -2.253 3.635 1.00 0.00 H new ATOM 0 HA HIS A 119 -36.409 -4.115 4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -38.396 -4.523 5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -39.289 -5.036 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -36.489 -6.336 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -37.290 -9.382 3.972 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -36.065 -8.811 6.119 1.00 0.00 H new ATOM 1871 N HIS A 120 -36.925 -5.205 1.956 1.00 0.00 N ATOM 1872 CA HIS A 120 -37.064 -5.553 0.534 1.00 0.00 C ATOM 1873 C HIS A 120 -38.332 -6.361 0.267 1.00 0.00 C ATOM 1874 O HIS A 120 -38.781 -6.472 -0.874 1.00 0.00 O ATOM 1875 CB HIS A 120 -35.836 -6.309 0.016 1.00 0.00 C ATOM 1876 CG HIS A 120 -34.612 -5.449 -0.114 1.00 0.00 C ATOM 1877 ND1 HIS A 120 -33.657 -5.328 0.879 1.00 0.00 N ATOM 1878 CD2 HIS A 120 -34.190 -4.657 -1.129 1.00 0.00 C ATOM 1879 CE1 HIS A 120 -32.712 -4.501 0.477 1.00 0.00 C ATOM 1880 NE2 HIS A 120 -33.012 -4.084 -0.731 1.00 0.00 N ATOM 0 H HIS A 120 -36.206 -5.731 2.452 1.00 0.00 H new ATOM 0 HA HIS A 120 -37.143 -4.612 -0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -35.618 -7.137 0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -36.070 -6.743 -0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -34.689 -4.506 -2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -31.839 -4.215 1.045 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -32.455 -3.435 -1.286 1.00 0.00 H new ATOM 1888 N HIS A 121 -38.901 -6.925 1.314 1.00 0.00 N ATOM 1889 CA HIS A 121 -40.136 -7.681 1.195 1.00 0.00 C ATOM 1890 C HIS A 121 -41.267 -6.926 1.858 1.00 0.00 C ATOM 1891 O HIS A 121 -41.084 -6.316 2.906 1.00 0.00 O ATOM 1892 CB HIS A 121 -40.001 -9.078 1.815 1.00 0.00 C ATOM 1893 CG HIS A 121 -39.112 -10.007 1.045 1.00 0.00 C ATOM 1894 ND1 HIS A 121 -39.586 -10.870 0.082 1.00 0.00 N ATOM 1895 CD2 HIS A 121 -37.777 -10.214 1.105 1.00 0.00 C ATOM 1896 CE1 HIS A 121 -38.582 -11.570 -0.411 1.00 0.00 C ATOM 1897 NE2 HIS A 121 -37.476 -11.191 0.190 1.00 0.00 N ATOM 0 H HIS A 121 -38.527 -6.875 2.262 1.00 0.00 H new ATOM 0 HA HIS A 121 -40.355 -7.806 0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -39.613 -8.978 2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -40.992 -9.525 1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -37.078 -9.705 1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -38.656 -12.326 -1.178 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -36.544 -11.563 0.006 1.00 0.00 H new ATOM 1905 N HIS A 122 -42.427 -6.947 1.235 1.00 0.00 N ATOM 1906 CA HIS A 122 -43.591 -6.254 1.764 1.00 0.00 C ATOM 1907 C HIS A 122 -44.701 -7.247 2.064 1.00 0.00 C ATOM 1908 O HIS A 122 -45.866 -6.876 2.241 1.00 0.00 O ATOM 1909 CB HIS A 122 -44.073 -5.178 0.779 1.00 0.00 C ATOM 1910 CG HIS A 122 -43.065 -4.095 0.548 1.00 0.00 C ATOM 1911 ND1 HIS A 122 -42.947 -2.985 1.362 1.00 0.00 N ATOM 1912 CD2 HIS A 122 -42.110 -3.962 -0.402 1.00 0.00 C ATOM 1913 CE1 HIS A 122 -41.964 -2.220 0.918 1.00 0.00 C ATOM 1914 NE2 HIS A 122 -41.442 -2.791 -0.146 1.00 0.00 N ATOM 0 H HIS A 122 -42.593 -7.438 0.357 1.00 0.00 H new ATOM 0 HA HIS A 122 -43.310 -5.759 2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -44.315 -5.649 -0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -44.993 -4.734 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -41.911 -4.649 -1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -41.644 -1.285 1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -40.665 -2.422 -0.694 1.00 0.00 H new ATOM 1922 N HIS A 123 -44.321 -8.516 2.128 1.00 0.00 N ATOM 1923 CA HIS A 123 -45.253 -9.585 2.427 1.00 0.00 C ATOM 1924 C HIS A 123 -45.529 -9.621 3.924 1.00 0.00 C ATOM 1925 O HIS A 123 -44.712 -10.111 4.709 1.00 0.00 O ATOM 1926 CB HIS A 123 -44.689 -10.936 1.937 1.00 0.00 C ATOM 1927 CG HIS A 123 -45.558 -12.123 2.241 1.00 0.00 C ATOM 1928 ND1 HIS A 123 -45.288 -13.012 3.260 1.00 0.00 N ATOM 1929 CD2 HIS A 123 -46.692 -12.570 1.650 1.00 0.00 C ATOM 1930 CE1 HIS A 123 -46.211 -13.953 3.281 1.00 0.00 C ATOM 1931 NE2 HIS A 123 -47.074 -13.710 2.318 1.00 0.00 N ATOM 0 H HIS A 123 -43.362 -8.828 1.974 1.00 0.00 H new ATOM 0 HA HIS A 123 -46.192 -9.402 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -44.535 -10.881 0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -43.711 -11.093 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -47.200 -12.117 0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -46.252 -14.782 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -47.894 -14.276 2.102 1.00 0.00 H new ATOM 1939 N HIS A 124 -46.667 -9.085 4.316 1.00 0.00 N ATOM 1940 CA HIS A 124 -47.042 -9.047 5.716 1.00 0.00 C ATOM 1941 C HIS A 124 -47.800 -10.305 6.111 1.00 0.00 C ATOM 1942 O HIS A 124 -48.826 -10.610 5.473 1.00 0.00 O ATOM 1943 CB HIS A 124 -47.845 -7.768 6.062 1.00 0.00 C ATOM 1944 CG HIS A 124 -49.118 -7.575 5.273 1.00 0.00 C ATOM 1945 ND1 HIS A 124 -49.187 -6.816 4.121 1.00 0.00 N ATOM 1946 CD2 HIS A 124 -50.376 -8.029 5.490 1.00 0.00 C ATOM 1947 CE1 HIS A 124 -50.433 -6.814 3.669 1.00 0.00 C ATOM 1948 NE2 HIS A 124 -51.167 -7.543 4.480 1.00 0.00 N ATOM 1949 OXT HIS A 124 -47.366 -10.988 7.057 1.00 0.00 O ATOM 0 H HIS A 124 -47.350 -8.669 3.683 1.00 0.00 H new ATOM 0 HA HIS A 124 -46.123 -9.013 6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -48.094 -7.790 7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -47.203 -6.901 5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -50.697 -8.658 6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -50.785 -6.301 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -52.166 -7.719 4.375 1.00 0.00 H new TER 1957 HIS A 124